##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
N-[4-(4-Nitrophenoxy)phenyl]pentanamide
;
_chemical_name_common     ?
_chemical_formula_moiety     'C17 H18 N2 O4'
_chemical_formula_sum     'C17 H18 N2 O4'
_chemical_formula_iupac     'C17 H18 N2 O4'
_chemical_formula_weight     314.33
_chemical_melting_point     390
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     4.9776(5)
_cell_length_b     10.1139(10)
_cell_length_c     30.572(3)
_cell_angle_alpha     92.069(2)
_cell_angle_beta     90.087(2)
_cell_angle_gamma     91.060(2)
_cell_volume     1537.8(3)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     4085
_cell_measurement_theta_min     2.38
_cell_measurement_theta_max     25.33
_cell_measurement_temperature     150(2)
_exptl_crystal_description     wedge
_exptl_crystal_colour     brown
_exptl_crystal_size_max     0.33
_exptl_crystal_size_mid     0.32
_exptl_crystal_size_min     0.13
_exptl_crystal_density_diffrn     1.358
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     664
_exptl_absorpt_coefficient_mu     0.098
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 2008a)'
_exptl_absorpt_correction_T_min     0.9684
_exptl_absorpt_correction_T_max     0.9874
_exptl_special_details     ?
_diffrn_ambient_temperature     150(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker APEXII CCD'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     17614
_diffrn_reflns_av_R_equivalents     0.0328
_diffrn_reflns_av_sigmaI/netI     0.0372
_diffrn_reflns_theta_min     0.67
_diffrn_reflns_theta_max     26.00
_diffrn_reflns_theta_full     26.00
_diffrn_measured_fraction_theta_max     0.998
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -6
_diffrn_reflns_limit_h_max     6
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -37
_diffrn_reflns_limit_l_max     37
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
σ(F²) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F² are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger.
;
_reflns_number_total     6018
_reflns_number_gt     4664
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0725
_refine_ls_R_factor_gt     0.0556
_refine_ls_wR_factor_gt     0.1278
_refine_ls_wR_factor_ref     0.1354
_refine_ls_goodness_of_fit_ref     1.086
_refine_ls_restrained_S_all     1.086
_refine_ls_number_reflns     6018
_refine_ls_number_parameters     415
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0389P)²+1.2455P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.339
_refine_diff_density_min     -0.206
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'APEX2 (Bruker 1998)'
_computing_cell_refinement     'SAINT (Bruker 1998)'
_computing_data_reduction     'SAINT (Bruker 1998)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008b)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008b)'
_computing_molecular_graphics
    'SHELXTL (Sheldrick, 2008b) and Mercury (Macrae et al., 2008)'
_computing_publication_material     'SHELXTL (Sheldrick, 2008b)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    C C1A 0.6952(5) 1.1513(2) 0.41515(8) 0.0331(5) Uani d . 1 1 . .
    C C2A 0.5007(5) 1.0629(2) 0.42860(8) 0.0323(5) Uani d . 1 1 . .
    H H2A 0.4789 0.9789 0.4140 0.039 Uiso calc R 1 1 . .
    C C3A 0.3375(5) 1.0977(2) 0.46368(8) 0.0330(5) Uani d . 1 1 . .
    H H3A 0.2037 1.0377 0.4736 0.040 Uiso calc R 1 1 . .
    C C4A 0.3722(5) 1.2207(2) 0.48397(7) 0.0313(5) Uani d . 1 1 . .
    N N1A 0.1898(4) 1.2606(2) 0.51924(7) 0.0387(5) Uani d . 1 1 . .
    O O1A 0.0553(4) 1.17409(19) 0.53686(6) 0.0511(5) Uani d . 1 1 . .
    O O2A 0.1772(4) 1.37879(18) 0.52958(6) 0.0489(5) Uani d . 1 1 . .
    C C5A 0.5702(5) 1.3092(2) 0.47140(8) 0.0350(5) Uani d . 1 1 . .
    H H5A 0.5933 1.3926 0.4864 0.042 Uiso calc R 1 1 . .
    C C6A 0.7335(5) 1.2738(2) 0.43667(8) 0.0357(5) Uani d . 1 1 . .
    H H6A 0.8713 1.3327 0.4275 0.043 Uiso calc R 1 1 . .
    O O3A 0.8658(3) 1.12568(18) 0.38088(6) 0.0442(5) Uani d . 1 1 . .
    C C7A 0.7902(5) 1.0268(2) 0.34970(8) 0.0349(5) Uani d . 1 1 . .
    C C8A 0.5830(5) 1.0467(2) 0.32109(8) 0.0394(6) Uani d . 1 1 . .
    H H8A 0.4787 1.1242 0.3240 0.047 Uiso calc R 1 1 . .
    C C9A 0.5272(5) 0.9532(2) 0.28806(8) 0.0360(6) Uani d . 1 1 . .
    H H9A 0.3832 0.9663 0.2683 0.043 Uiso calc R 1 1 . .
    C C10A 0.6800(4) 0.8405(2) 0.28355(7) 0.0278(5) Uani d . 1 1 . .
    C C11A 0.8841(5) 0.8202(2) 0.31316(8) 0.0377(6) Uani d . 1 1 . .
    H H11A 0.9872 0.7422 0.3107 0.045 Uiso calc R 1 1 . .
    C C12A 0.9385(5) 0.9137(3) 0.34648(8) 0.0417(6) Uani d . 1 1 . .
    H H12A 1.0777 0.8996 0.3670 0.050 Uiso calc R 1 1 . .
    N N2A 0.6189(4) 0.74848(19) 0.24853(6) 0.0305(4) Uani d . 1 1 . .
    H H2A1 0.4481 0.7321 0.2427 0.037 Uiso calc R 1 1 . .
    C C13A 0.8018(4) 0.6841(2) 0.22349(7) 0.0295(5) Uani d . 1 1 . .
    O O4A 1.0444(3) 0.68820(17) 0.23109(5) 0.0367(4) Uani d . 1 1 . .
    C C14A 0.6836(5) 0.6108(3) 0.18369(8) 0.0380(6) Uani d . 1 1 . .
    H H14A 0.5192 0.5624 0.1926 0.046 Uiso calc R 1 1 . .
    H H14B 0.6300 0.6763 0.1622 0.046 Uiso calc R 1 1 . .
    C C15A 0.8712(5) 0.5141(3) 0.16170(8) 0.0371(6) Uani d . 1 1 . .
    H H15A 0.9136 0.4442 0.1823 0.044 Uiso calc R 1 1 . .
    H H15B 1.0413 0.5609 0.1546 0.044 Uiso calc R 1 1 . .
    C C16A 0.7546(5) 0.4497(3) 0.11993(8) 0.0393(6) Uani d . 1 1 . .
    H H16A 0.7300 0.5180 0.0980 0.047 Uiso calc R 1 1 . .
    H H16B 0.5762 0.4100 0.1262 0.047 Uiso calc R 1 1 . .
    C C17A 0.9380(6) 0.3430(3) 0.10128(10) 0.0523(7) Uani d . 1 1 . .
    H H17A 0.8580 0.3032 0.0745 0.078 Uiso calc R 1 1 . .
    H H17B 0.9603 0.2746 0.1228 0.078 Uiso calc R 1 1 . .
    H H17C 1.1137 0.3824 0.0945 0.078 Uiso calc R 1 1 . .
    C C1B 0.1775(5) -0.1421(2) 0.09199(8) 0.0355(5) Uani d . 1 1 . .
    C C2B 0.0018(5) -0.0524(2) 0.07505(8) 0.0355(5) Uani d . 1 1 . .
    H H2B -0.0041 0.0355 0.0870 0.043 Uiso calc R 1 1 . .
    C C3B -0.1649(5) -0.0917(2) 0.04060(8) 0.0367(6) Uani d . 1 1 . .
    H H3B -0.2868 -0.0314 0.0287 0.044 Uiso calc R 1 1 . .
    C C4B -0.1514(5) -0.2198(2) 0.02386(8) 0.0358(5) Uani d . 1 1 . .
    N N1B -0.3357(5) -0.2628(2) -0.01144(7) 0.0452(5) Uani d . 1 1 . .
    O O1B -0.4575(5) -0.1779(2) -0.03068(7) 0.0630(6) Uani d . 1 1 . .
    O O2B -0.3609(4) -0.3815(2) -0.02012(7) 0.0585(6) Uani d . 1 1 . .
    C C5B 0.0274(5) -0.3092(2) 0.03978(8) 0.0403(6) Uani d . 1 1 . .
    H H5B 0.0347 -0.3966 0.0274 0.048 Uiso calc R 1 1 . .
    C C6B 0.1945(5) -0.2697(3) 0.07381(9) 0.0417(6) Uani d . 1 1 . .
    H H6B 0.3210 -0.3293 0.0849 0.050 Uiso calc R 1 1 . .
    O O3B 0.3504(4) -0.11092(19) 0.12585(6) 0.0511(5) Uani d . 1 1 . .
    C C7B 0.2903(5) -0.0041(2) 0.15468(8) 0.0374(6) Uani d . 1 1 . .
    C C8B 0.0770(5) -0.0121(3) 0.18294(8) 0.0414(6) Uani d . 1 1 . .
    H H8B -0.0434 -0.0861 0.1812 0.050 Uiso calc R 1 1 . .
    C C9B 0.0393(5) 0.0892(2) 0.21400(8) 0.0364(6) Uani d . 1 1 . .
    H H9B -0.1091 0.0848 0.2334 0.044 Uiso calc R 1 1 . .
    C C10B 0.2158(4) 0.1966(2) 0.21698(7) 0.0292(5) Uani d . 1 1 . .
    C C11B 0.4253(5) 0.2041(3) 0.18721(8) 0.0383(6) Uani d . 1 1 . .
    H H11B 0.5443 0.2787 0.1883 0.046 Uiso calc R 1 1 . .
    C C12B 0.4618(5) 0.1036(3) 0.15602(8) 0.0429(6) Uani d . 1 1 . .
    H H12B 0.6050 0.1092 0.1356 0.051 Uiso calc R 1 1 . .
    N N2B 0.1717(4) 0.29683(19) 0.24937(6) 0.0318(4) Uani d . 1 1 . .
    H H2B1 0.0035 0.3139 0.2560 0.038 Uiso calc R 1 1 . .
    C C13B 0.3637(4) 0.3693(2) 0.27129(7) 0.0313(5) Uani d . 1 1 . .
    O O4B 0.6048(3) 0.35562(18) 0.26473(6) 0.0424(4) Uani d . 1 1 . .
    C C14B 0.2633(5) 0.4669(2) 0.30584(8) 0.0359(6) Uani d . 1 1 . .
    H H14C 0.0654 0.4723 0.3036 0.043 Uiso calc R 1 1 . .
    H H14D 0.3410 0.5557 0.3006 0.043 Uiso calc R 1 1 . .
    C C15B 0.3385(5) 0.4267(3) 0.35172(8) 0.0417(6) Uani d . 1 1 . .
    H H15C 0.5355 0.4158 0.3533 0.050 Uiso calc R 1 1 . .
    H H15D 0.2522 0.3401 0.3575 0.050 Uiso calc R 1 1 . .
    C C16B 0.2540(5) 0.5274(3) 0.38710(8) 0.0402(6) Uani d . 1 1 . .
    H H16C 0.0604 0.5449 0.3834 0.048 Uiso calc R 1 1 . .
    H H16D 0.2775 0.4882 0.4160 0.048 Uiso calc R 1 1 . .
    C C17B 0.4077(5) 0.6579(3) 0.38696(9) 0.0447(6) Uani d . 1 1 . .
    H H17D 0.3405 0.7170 0.4104 0.067 Uiso calc R 1 1 . .
    H H17E 0.3830 0.6988 0.3587 0.067 Uiso calc R 1 1 . .
    H H17F 0.5992 0.6424 0.3917 0.067 Uiso calc R 1 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    C1A O3A . 1.370(3) ?
    C1A C2A . 1.379(3) ?
    C1A C6A . 1.391(3) ?
    C2A C3A . 1.386(3) ?
    C2A H2A . 0.9500 ?
    C3A C4A . 1.378(3) ?
    C3A H3A . 0.9500 ?
    C4A C5A . 1.383(3) ?
    C4A N1A . 1.461(3) ?
    N1A O2A . 1.229(3) ?
    N1A O1A . 1.232(3) ?
    C5A C6A . 1.379(3) ?
    C5A H5A . 0.9500 ?
    C6A H6A . 0.9500 ?
    O3A C7A . 1.403(3) ?
    C7A C12A . 1.373(3) ?
    C7A C8A . 1.373(3) ?
    C8A C9A . 1.383(3) ?
    C8A H8A . 0.9500 ?
    C9A C10A . 1.385(3) ?
    C9A H9A . 0.9500 ?
    C10A C11A . 1.383(3) ?
    C10A N2A . 1.422(3) ?
    C11A C12A . 1.387(3) ?
    C11A H11A . 0.9500 ?
    C12A H12A . 0.9500 ?
    N2A C13A . 1.352(3) ?
    N2A H2A1 . 0.8800 ?
    C13A O4A . 1.229(3) ?
    C13A C14A . 1.514(3) ?
    C14A C15A . 1.506(3) ?
    C14A H14A . 0.9900 ?
    C14A H14B . 0.9900 ?
    C15A C16A . 1.522(3) ?
    C15A H15A . 0.9900 ?
    C15A H15B . 0.9900 ?
    C16A C17A . 1.522(4) ?
    C16A H16A . 0.9900 ?
    C16A H16B . 0.9900 ?
    C17A H17A . 0.9800 ?
    C17A H17B . 0.9800 ?
    C17A H17C . 0.9800 ?
    C1B O3B . 1.369(3) ?
    C1B C2B . 1.385(3) ?
    C1B C6B . 1.390(3) ?
    C2B C3B . 1.382(3) ?
    C2B H2B . 0.9500 ?
    C3B C4B . 1.378(3) ?
    C3B H3B . 0.9500 ?
    C4B C5B . 1.381(3) ?
    C4B N1B . 1.464(3) ?
    N1B O2B . 1.225(3) ?
    N1B O1B . 1.227(3) ?
    C5B C6B . 1.374(4) ?
    C5B H5B . 0.9500 ?
    C6B H6B . 0.9500 ?
    O3B C7B . 1.406(3) ?
    C7B C12B . 1.371(4) ?
    C7B C8B . 1.373(4) ?
    C8B C9B . 1.387(4) ?
    C8B H8B . 0.9500 ?
    C9B C10B . 1.385(3) ?
    C9B H9B . 0.9500 ?
    C10B C11B . 1.388(3) ?
    C10B N2B . 1.412(3) ?
    C11B C12B . 1.383(3) ?
    C11B H11B . 0.9500 ?
    C12B H12B . 0.9500 ?
    N2B C13B . 1.355(3) ?
    N2B H2B1 . 0.8800 ?
    C13B O4B . 1.227(3) ?
    C13B C14B . 1.512(3) ?
    C14B C15B . 1.522(3) ?
    C14B H14C . 0.9900 ?
    C14B H14D . 0.9900 ?
    C15B C16B . 1.524(3) ?
    C15B H15C . 0.9900 ?
    C15B H15D . 0.9900 ?
    C16B C17B . 1.513(4) ?
    C16B H16C . 0.9900 ?
    C16B H16D . 0.9900 ?
    C17B H17D . 0.9800 ?
    C17B H17E . 0.9800 ?
    C17B H17F . 0.9800 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O3A C1A C2A . . 123.5(2) ?
    O3A C1A C6A . . 115.3(2) ?
    C2A C1A C6A . . 121.2(2) ?
    C1A C2A C3A . . 119.4(2) ?
    C1A C2A H2A . . 120.3 ?
    C3A C2A H2A . . 120.3 ?
    C4A C3A C2A . . 119.0(2) ?
    C4A C3A H3A . . 120.5 ?
    C2A C3A H3A . . 120.5 ?
    C3A C4A C5A . . 122.2(2) ?
    C3A C4A N1A . . 119.0(2) ?
    C5A C4A N1A . . 118.8(2) ?
    O2A N1A O1A . . 123.4(2) ?
    O2A N1A C4A . . 118.3(2) ?
    O1A N1A C4A . . 118.4(2) ?
    C6A C5A C4A . . 118.6(2) ?
    C6A C5A H5A . . 120.7 ?
    C4A C5A H5A . . 120.7 ?
    C5A C6A C1A . . 119.6(2) ?
    C5A C6A H6A . . 120.2 ?
    C1A C6A H6A . . 120.2 ?
    C1A O3A C7A . . 118.14(18) ?
    C12A C7A C8A . . 120.8(2) ?
    C12A C7A O3A . . 118.7(2) ?
    C8A C7A O3A . . 120.4(2) ?
    C7A C8A C9A . . 119.6(2) ?
    C7A C8A H8A . . 120.2 ?
    C9A C8A H8A . . 120.2 ?
    C8A C9A C10A . . 120.4(2) ?
    C8A C9A H9A . . 119.8 ?
    C10A C9A H9A . . 119.8 ?
    C11A C10A C9A . . 119.5(2) ?
    C11A C10A N2A . . 122.2(2) ?
    C9A C10A N2A . . 118.4(2) ?
    C10A C11A C12A . . 120.1(2) ?
    C10A C11A H11A . . 120.0 ?
    C12A C11A H11A . . 120.0 ?
    C7A C12A C11A . . 119.7(2) ?
    C7A C12A H12A . . 120.1 ?
    C11A C12A H12A . . 120.1 ?
    C13A N2A C10A . . 125.31(18) ?
    C13A N2A H2A1 . . 117.3 ?
    C10A N2A H2A1 . . 117.3 ?
    O4A C13A N2A . . 123.5(2) ?
    O4A C13A C14A . . 122.4(2) ?
    N2A C13A C14A . . 114.11(19) ?
    C15A C14A C13A . . 114.24(19) ?
    C15A C14A H14A . . 108.7 ?
    C13A C14A H14A . . 108.7 ?
    C15A C14A H14B . . 108.7 ?
    C13A C14A H14B . . 108.7 ?
    H14A C14A H14B . . 107.6 ?
    C14A C15A C16A . . 113.0(2) ?
    C14A C15A H15A . . 109.0 ?
    C16A C15A H15A . . 109.0 ?
    C14A C15A H15B . . 109.0 ?
    C16A C15A H15B . . 109.0 ?
    H15A C15A H15B . . 107.8 ?
    C15A C16A C17A . . 111.2(2) ?
    C15A C16A H16A . . 109.4 ?
    C17A C16A H16A . . 109.4 ?
    C15A C16A H16B . . 109.4 ?
    C17A C16A H16B . . 109.4 ?
    H16A C16A H16B . . 108.0 ?
    C16A C17A H17A . . 109.5 ?
    C16A C17A H17B . . 109.5 ?
    H17A C17A H17B . . 109.5 ?
    C16A C17A H17C . . 109.5 ?
    H17A C17A H17C . . 109.5 ?
    H17B C17A H17C . . 109.5 ?
    O3B C1B C2B . . 123.2(2) ?
    O3B C1B C6B . . 116.0(2) ?
    C2B C1B C6B . . 120.8(2) ?
    C3B C2B C1B . . 119.5(2) ?
    C3B C2B H2B . . 120.2 ?
    C1B C2B H2B . . 120.2 ?
    C4B C3B C2B . . 118.9(2) ?
    C4B C3B H3B . . 120.5 ?
    C2B C3B H3B . . 120.5 ?
    C3B C4B C5B . . 122.1(2) ?
    C3B C4B N1B . . 118.8(2) ?
    C5B C4B N1B . . 119.1(2) ?
    O2B N1B O1B . . 123.5(2) ?
    O2B N1B C4B . . 118.3(2) ?
    O1B N1B C4B . . 118.2(2) ?
    C6B C5B C4B . . 118.9(2) ?
    C6B C5B H5B . . 120.5 ?
    C4B C5B H5B . . 120.5 ?
    C5B C6B C1B . . 119.7(2) ?
    C5B C6B H6B . . 120.1 ?
    C1B C6B H6B . . 120.1 ?
    C1B O3B C7B . . 118.86(18) ?
    C12B C7B C8B . . 121.1(2) ?
    C12B C7B O3B . . 118.1(2) ?
    C8B C7B O3B . . 120.6(2) ?
    C7B C8B C9B . . 119.2(2) ?
    C7B C8B H8B . . 120.4 ?
    C9B C8B H8B . . 120.4 ?
    C10B C9B C8B . . 120.7(2) ?
    C10B C9B H9B . . 119.7 ?
    C8B C9B H9B . . 119.7 ?
    C9B C10B C11B . . 119.0(2) ?
    C9B C10B N2B . . 118.8(2) ?
    C11B C10B N2B . . 122.2(2) ?
    C12B C11B C10B . . 120.3(2) ?
    C12B C11B H11B . . 119.8 ?
    C10B C11B H11B . . 119.8 ?
    C7B C12B C11B . . 119.7(2) ?
    C7B C12B H12B . . 120.2 ?
    C11B C12B H12B . . 120.2 ?
    C13B N2B C10B . . 126.19(18) ?
    C13B N2B H2B1 . . 116.9 ?
    C10B N2B H2B1 . . 116.9 ?
    O4B C13B N2B . . 123.0(2) ?
    O4B C13B C14B . . 121.2(2) ?
    N2B C13B C14B . . 115.74(19) ?
    C13B C14B C15B . . 111.66(19) ?
    C13B C14B H14C . . 109.3 ?
    C15B C14B H14C . . 109.3 ?
    C13B C14B H14D . . 109.3 ?
    C15B C14B H14D . . 109.3 ?
    H14C C14B H14D . . 107.9 ?
    C14B C15B C16B . . 112.8(2) ?
    C14B C15B H15C . . 109.0 ?
    C16B C15B H15C . . 109.0 ?
    C14B C15B H15D . . 109.0 ?
    C16B C15B H15D . . 109.0 ?
    H15C C15B H15D . . 107.8 ?
    C17B C16B C15B . . 114.6(2) ?
    C17B C16B H16C . . 108.6 ?
    C15B C16B H16C . . 108.6 ?
    C17B C16B H16D . . 108.6 ?
    C15B C16B H16D . . 108.6 ?
    H16C C16B H16D . . 107.6 ?
    C16B C17B H17D . . 109.5 ?
    C16B C17B H17E . . 109.5 ?
    H17D C17B H17E . . 109.5 ?
    C16B C17B H17F . . 109.5 ?
    H17D C17B H17F . . 109.5 ?
    H17E C17B H17F . . 109.5 ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    N2A H2A1 O4A 1_455 0.88 2.08 2.955(2) 178
    N2B H2B1 O4B 1_455 0.88 2.05 2.929(2) 174
    C3A H3A O1A 2_576 0.95 2.49 3.341(3) 150
    C5A H5A O2A 2_686 0.95 2.62 3.376(3) 137
    C3B H3B O1B 2_455 0.95 2.49 3.360(3) 153
data_global
_journal_date_recd_electronic     2012-07-27
_journal_date_accepted     2012-08-24
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2012
_journal_volume     68
_journal_issue      9
_journal_page_first     o2816
_journal_page_last     o2816
_journal_paper_category     QO
_journal_paper_doi     10.1107/S1600536812036744
_journal_coeditor_code     GG2093
_publ_contact_author_name     'Dr. Mrs. Zareen Akhter'
_publ_contact_author_address
;
Department of Chemistry
Quaid-i-Azam University
Islamabad 45320
Pakistan
;
_publ_contact_author_email     'zareenakhter@yahoo.com'
_publ_contact_author_fax     '92-51-90642441'
_publ_contact_author_phone     '92-51-90642111'
_publ_section_title
;
N-[4-(4-Nitrophenoxy)phenyl]pentanamide
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Nigar, Asifan' .
;
Department of Chemistry
Quaid-i-Azam University
Islamabad
Pakistan
;
    'Akhter, Zareen' .
;
Department of Chemistry
Quaid-i-Azam University
Islamabad
Pakistan
;
    'McKee, Vickie' .
;
Chemistry Department
Loughborough University,
Loughborough LE11 3TU
England
;
    'Hussain, Rizwan' .
;
NESCOM
PO Box 2216
Islamabad
Pakistan
;
