##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# 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 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. The current version number is 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
4-Nitrophenyl 2-methylbenzoate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C14 H11 N O4'
_chemical_formula_sum     'C14 H11 N O4'
_chemical_formula_iupac     'C14 H11 N O4'
_chemical_formula_weight     257.24
_chemical_melting_point     ?
_symmetry_cell_setting     Orthorhombic
_symmetry_space_group_name_H-M     'P 21 21 21'
_symmetry_space_group_name_Hall     'P 2ac 2ab'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, -y, z+1/2'
    '-x, y+1/2, -z+1/2'
    'x+1/2, -y+1/2, -z'
_cell_length_a     11.4748(7)
_cell_length_b     14.3608(8)
_cell_length_c     14.5944(9)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     90.00
_cell_volume     2405.0(2)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     7991
_cell_measurement_theta_min     3.4
_cell_measurement_theta_max     25.9
_cell_measurement_temperature     173(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.48
_exptl_crystal_size_mid     0.43
_exptl_crystal_size_min     0.42
_exptl_crystal_density_diffrn     1.421
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1072
_exptl_absorpt_coefficient_mu     0.106
_exptl_absorpt_correction_type     none
_exptl_absorpt_process_details     ?
_exptl_absorpt_correction_T_min     .
_exptl_absorpt_correction_T_max     .
_exptl_special_details
;
;
_diffrn_ambient_temperature     173(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     'Stoe IPDS II two-circle'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     8396
_diffrn_reflns_av_R_equivalents     0.0315
_diffrn_reflns_av_sigmaI/netI     0.0256
_diffrn_reflns_theta_min     3.35
_diffrn_reflns_theta_max     25.57
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.993
_diffrn_measured_fraction_theta_full     0.996
_diffrn_reflns_limit_h_min     -13
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -17
_diffrn_reflns_limit_k_max     16
_diffrn_reflns_limit_l_min     -17
_diffrn_reflns_limit_l_max     15
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     ?
_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     2536
_reflns_number_gt     2233
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0387
_refine_ls_R_factor_gt     0.0322
_refine_ls_wR_factor_gt     0.0789
_refine_ls_wR_factor_ref     0.0811
_refine_ls_goodness_of_fit_ref     1.001
_refine_ls_restrained_S_all     1.001
_refine_ls_number_reflns     2536
_refine_ls_number_parameters     346
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.0582P)²] 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     0.186
_refine_diff_density_min     -0.158
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_extinction_coef     0.0029(6)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_abs_structure_details     ?
_refine_ls_abs_structure_Flack     ?
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     'X-AREA (Stoe & Cie, 2001)'
_computing_cell_refinement     'X-AREA (Stoe & Cie, 2001)'
_computing_data_reduction     'X-AREA (Stoe & Cie, 2001)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'XP (Sheldrick, 2008)'
_computing_publication_material     'SHELXL97 (Sheldrick, 2008)'
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_disorder_assembly
    _atom_site_disorder_group
    O O1 0.16002(13) 0.61145(10) 0.13451(12) 0.0313(4) Uani d . 1 . .
    O O2 -0.01252(14) 0.62719(11) 0.06228(12) 0.0350(4) Uani d . 1 . .
    O O3 0.20623(17) 0.17957(12) 0.15433(18) 0.0603(6) Uani d . 1 . .
    O O4 0.04224(17) 0.19478(12) 0.22316(14) 0.0484(5) Uani d . 1 . .
    N N1 0.12619(18) 0.22748(13) 0.18336(14) 0.0330(5) Uani d . 1 . .
    C C1 0.07279(19) 0.66283(14) 0.09413(15) 0.0252(4) Uani d . 1 . .
    C C2 0.14470(18) 0.51564(14) 0.14478(14) 0.0257(5) Uani d . 1 . .
    C C3 0.0478(2) 0.47887(15) 0.18780(15) 0.0279(5) Uani d . 1 . .
    H H3 -0.0134 0.5184 0.2081 0.033 Uiso calc R 1 . .
    C C4 0.04139(19) 0.38314(15) 0.20091(15) 0.0269(5) Uani d . 1 . .
    H H4 -0.0242 0.3559 0.2303 0.032 Uiso calc R 1 . .
    C C5 0.13290(19) 0.32834(15) 0.17014(15) 0.0262(5) Uani d . 1 . .
    C C6 0.23122(19) 0.36492(15) 0.12783(15) 0.0276(5) Uani d . 1 . .
    H H6 0.2929 0.3257 0.1080 0.033 Uiso calc R 1 . .
    C C7 0.23633(19) 0.46020(15) 0.11547(15) 0.0276(5) Uani d . 1 . .
    H H7 0.3024 0.4876 0.0870 0.033 Uiso calc R 1 . .
    C C11 0.10142(19) 0.76401(15) 0.09643(15) 0.0257(4) Uani d . 1 . .
    C C12 0.0246(2) 0.82974(15) 0.05781(15) 0.0289(5) Uani d . 1 . .
    C C13 0.0559(2) 0.92345(16) 0.06402(16) 0.0356(5) Uani d . 1 . .
    H H13 0.0054 0.9692 0.0389 0.043 Uiso calc R 1 . .
    C C14 0.1581(3) 0.95161(16) 0.10555(17) 0.0398(6) Uani d . 1 . .
    H H14 0.1767 1.0160 0.1088 0.048 Uiso calc R 1 . .
    C C15 0.2334(2) 0.88691(17) 0.14233(17) 0.0389(6) Uani d . 1 . .
    H H15 0.3043 0.9062 0.1701 0.047 Uiso calc R 1 . .
    C C16 0.2045(2) 0.79333(16) 0.13842(16) 0.0319(5) Uani d . 1 . .
    H H16 0.2554 0.7485 0.1646 0.038 Uiso calc R 1 . .
    C C17 -0.0882(2) 0.80479(18) 0.01122(19) 0.0397(6) Uani d . 1 . .
    H H17A -0.1438 0.7815 0.0568 0.059 Uiso calc R 1 . .
    H H17B -0.0738 0.7564 -0.0348 0.059 Uiso calc R 1 . .
    H H17C -0.1205 0.8602 -0.0187 0.059 Uiso calc R 1 . .
    O O1A 0.17914(14) 0.15192(10) 0.86948(12) 0.0341(4) Uani d . 1 . .
    O O2A 0.02001(17) 0.18630(13) 0.95339(14) 0.0502(5) Uani d . 1 . .
    O O3A -0.00192(18) -0.24935(12) 0.77876(14) 0.0505(5) Uani d . 1 . .
    O O4A 0.16863(19) -0.28107(13) 0.83276(17) 0.0582(6) Uani d . 1 . .
    N N1A 0.09144(18) -0.22567(13) 0.81235(14) 0.0338(5) Uani d . 1 . .
    C C1A 0.1056(2) 0.21228(16) 0.91421(16) 0.0323(5) Uani d . 1 . .
    C C2A 0.15008(19) 0.05831(15) 0.86021(15) 0.0275(5) Uani d . 1 . .
    C C3A 0.0438(2) 0.03078(15) 0.82310(16) 0.0290(5) Uani d . 1 . .
    H H3A -0.0143 0.0755 0.8086 0.035 Uiso calc R 1 . .
    C C4A 0.0245(2) -0.06321(15) 0.80779(14) 0.0290(5) Uani d . 1 . .
    H H4A -0.0475 -0.0842 0.7831 0.035 Uiso calc R 1 . .
    C C5A 0.1119(2) -0.12599(15) 0.82913(15) 0.0273(5) Uani d . 1 . .
    C C6A 0.2179(2) -0.09892(16) 0.86513(16) 0.0309(5) Uani d . 1 . .
    H H6A 0.2764 -0.1436 0.8788 0.037 Uiso calc R 1 . .
    C C7A 0.23671(19) -0.00483(17) 0.88083(16) 0.0301(5) Uani d . 1 . .
    H H7A 0.3087 0.0159 0.9056 0.036 Uiso calc R 1 . .
    C C11A 0.1498(2) 0.30931(16) 0.90502(15) 0.0314(5) Uani d . 1 . .
    C C12A 0.0759(2) 0.38603(17) 0.91703(16) 0.0358(5) Uani d . 1 . .
    C C13A 0.1220(2) 0.47552(17) 0.90166(17) 0.0393(6) Uani d . 1 . .
    H H13A 0.0727 0.5283 0.9076 0.047 Uiso calc R 1 . .
    C C14A 0.2374(3) 0.48793(17) 0.87809(18) 0.0417(6) Uani d . 1 . .
    H H14A 0.2664 0.5490 0.8680 0.050 Uiso calc R 1 . .
    C C15A 0.3114(2) 0.41263(18) 0.86902(18) 0.0418(6) Uani d . 1 . .
    H H15A 0.3913 0.4218 0.8545 0.050 Uiso calc R 1 . .
    C C16A 0.2678(2) 0.32367(16) 0.88133(16) 0.0362(5) Uani d . 1 . .
    H H16A 0.3179 0.2716 0.8738 0.043 Uiso calc R 1 . .
    C C17A -0.0493(2) 0.3775(2) 0.9429(2) 0.0478(7) Uani d . 1 . .
    H H17D -0.0891 0.3366 0.8992 0.072 Uiso calc R 1 . .
    H H17E -0.0858 0.4392 0.9418 0.072 Uiso calc R 1 . .
    H H17F -0.0555 0.3512 1.0046 0.072 Uiso calc R 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
    O1 C1 . 1.376(3) ?
    O1 C2 . 1.395(2) ?
    O2 C1 . 1.199(3) ?
    O3 N1 . 1.223(3) ?
    O4 N1 . 1.219(3) ?
    N1 C5 . 1.463(3) ?
    C1 C11 . 1.490(3) ?
    C2 C3 . 1.382(3) ?
    C2 C7 . 1.387(3) ?
    C3 C4 . 1.390(3) ?
    C3 H3 . 0.9500 ?
    C4 C5 . 1.387(3) ?
    C4 H4 . 0.9500 ?
    C5 C6 . 1.389(3) ?
    C6 C7 . 1.381(3) ?
    C6 H6 . 0.9500 ?
    C7 H7 . 0.9500 ?
    C11 C16 . 1.397(3) ?
    C11 C12 . 1.409(3) ?
    C12 C13 . 1.396(3) ?
    C12 C17 . 1.505(3) ?
    C13 C14 . 1.381(4) ?
    C13 H13 . 0.9500 ?
    C14 C15 . 1.377(4) ?
    C14 H14 . 0.9500 ?
    C15 C16 . 1.385(3) ?
    C15 H15 . 0.9500 ?
    C16 H16 . 0.9500 ?
    C17 H17A . 0.9800 ?
    C17 H17B . 0.9800 ?
    C17 H17C . 0.9800 ?
    O1A C1A . 1.375(3) ?
    O1A C2A . 1.392(3) ?
    O2A C1A . 1.196(3) ?
    O3A N1A . 1.226(3) ?
    O4A N1A . 1.227(3) ?
    N1A C5A . 1.471(3) ?
    C1A C11A . 1.489(3) ?
    C2A C7A . 1.379(3) ?
    C2A C3A . 1.392(3) ?
    C3A C4A . 1.386(3) ?
    C3A H3A . 0.9500 ?
    C4A C5A . 1.384(3) ?
    C4A H4A . 0.9500 ?
    C5A C6A . 1.381(3) ?
    C6A C7A . 1.387(3) ?
    C6A H6A . 0.9500 ?
    C7A H7A . 0.9500 ?
    C11A C12A . 1.401(3) ?
    C11A C16A . 1.412(4) ?
    C12A C13A . 1.408(4) ?
    C12A C17A . 1.491(4) ?
    C13A C14A . 1.380(4) ?
    C13A H13A . 0.9500 ?
    C14A C15A . 1.381(4) ?
    C14A H14A . 0.9500 ?
    C15A C16A . 1.384(4) ?
    C15A H15A . 0.9500 ?
    C16A H16A . 0.9500 ?
    C17A H17D . 0.9800 ?
    C17A H17E . 0.9800 ?
    C17A 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
    C1 O1 C2 . . 118.90(16) ?
    O4 N1 O3 . . 122.80(19) ?
    O4 N1 C5 . . 119.06(19) ?
    O3 N1 C5 . . 118.1(2) ?
    O2 C1 O1 . . 122.09(18) ?
    O2 C1 C11 . . 127.2(2) ?
    O1 C1 C11 . . 110.67(18) ?
    C3 C2 C7 . . 122.06(19) ?
    C3 C2 O1 . . 121.81(19) ?
    C7 C2 O1 . . 115.96(19) ?
    C2 C3 C4 . . 118.9(2) ?
    C2 C3 H3 . . 120.5 ?
    C4 C3 H3 . . 120.5 ?
    C5 C4 C3 . . 118.5(2) ?
    C5 C4 H4 . . 120.8 ?
    C3 C4 H4 . . 120.8 ?
    C4 C5 C6 . . 123.0(2) ?
    C4 C5 N1 . . 118.6(2) ?
    C6 C5 N1 . . 118.4(2) ?
    C7 C6 C5 . . 117.8(2) ?
    C7 C6 H6 . . 121.1 ?
    C5 C6 H6 . . 121.1 ?
    C6 C7 C2 . . 119.8(2) ?
    C6 C7 H7 . . 120.1 ?
    C2 C7 H7 . . 120.1 ?
    C16 C11 C12 . . 120.2(2) ?
    C16 C11 C1 . . 119.4(2) ?
    C12 C11 C1 . . 120.4(2) ?
    C13 C12 C11 . . 117.3(2) ?
    C13 C12 C17 . . 118.7(2) ?
    C11 C12 C17 . . 124.0(2) ?
    C14 C13 C12 . . 122.0(2) ?
    C14 C13 H13 . . 119.0 ?
    C12 C13 H13 . . 119.0 ?
    C15 C14 C13 . . 120.4(2) ?
    C15 C14 H14 . . 119.8 ?
    C13 C14 H14 . . 119.8 ?
    C14 C15 C16 . . 119.2(2) ?
    C14 C15 H15 . . 120.4 ?
    C16 C15 H15 . . 120.4 ?
    C15 C16 C11 . . 120.9(2) ?
    C15 C16 H16 . . 119.6 ?
    C11 C16 H16 . . 119.6 ?
    C12 C17 H17A . . 109.5 ?
    C12 C17 H17B . . 109.5 ?
    H17A C17 H17B . . 109.5 ?
    C12 C17 H17C . . 109.5 ?
    H17A C17 H17C . . 109.5 ?
    H17B C17 H17C . . 109.5 ?
    C1A O1A C2A . . 120.55(18) ?
    O3A N1A O4A . . 123.2(2) ?
    O3A N1A C5A . . 118.4(2) ?
    O4A N1A C5A . . 118.4(2) ?
    O2A C1A O1A . . 122.3(2) ?
    O2A C1A C11A . . 127.9(2) ?
    O1A C1A C11A . . 109.76(19) ?
    C7A C2A C3A . . 122.0(2) ?
    C7A C2A O1A . . 116.19(19) ?
    C3A C2A O1A . . 121.5(2) ?
    C4A C3A C2A . . 118.7(2) ?
    C4A C3A H3A . . 120.7 ?
    C2A C3A H3A . . 120.7 ?
    C5A C4A C3A . . 118.8(2) ?
    C5A C4A H4A . . 120.6 ?
    C3A C4A H4A . . 120.6 ?
    C6A C5A C4A . . 122.7(2) ?
    C6A C5A N1A . . 118.5(2) ?
    C4A C5A N1A . . 118.7(2) ?
    C5A C6A C7A . . 118.3(2) ?
    C5A C6A H6A . . 120.8 ?
    C7A C6A H6A . . 120.8 ?
    C2A C7A C6A . . 119.5(2) ?
    C2A C7A H7A . . 120.3 ?
    C6A C7A H7A . . 120.3 ?
    C12A C11A C16A . . 119.7(2) ?
    C12A C11A C1A . . 121.2(2) ?
    C16A C11A C1A . . 119.0(2) ?
    C11A C12A C13A . . 118.1(2) ?
    C11A C12A C17A . . 123.4(2) ?
    C13A C12A C17A . . 118.5(2) ?
    C14A C13A C12A . . 121.2(2) ?
    C14A C13A H13A . . 119.4 ?
    C12A C13A H13A . . 119.4 ?
    C13A C14A C15A . . 120.8(2) ?
    C13A C14A H14A . . 119.6 ?
    C15A C14A H14A . . 119.6 ?
    C14A C15A C16A . . 119.2(2) ?
    C14A C15A H15A . . 120.4 ?
    C16A C15A H15A . . 120.4 ?
    C15A C16A C11A . . 120.9(2) ?
    C15A C16A H16A . . 119.6 ?
    C11A C16A H16A . . 119.6 ?
    C12A C17A H17D . . 109.5 ?
    C12A C17A H17E . . 109.5 ?
    H17D C17A H17E . . 109.5 ?
    C12A C17A H17F . . 109.5 ?
    H17D C17A H17F . . 109.5 ?
    H17E C17A H17F . . 109.5 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C2 O1 C1 O2 . . . . -4.9(3) ?
    C2 O1 C1 C11 . . . . 175.37(18) ?
    C1 O1 C2 C3 . . . . -53.7(3) ?
    C1 O1 C2 C7 . . . . 130.9(2) ?
    C7 C2 C3 C4 . . . . -0.9(3) ?
    O1 C2 C3 C4 . . . . -176.0(2) ?
    C2 C3 C4 C5 . . . . 0.0(3) ?
    C3 C4 C5 C6 . . . . 0.8(3) ?
    C3 C4 C5 N1 . . . . -179.7(2) ?
    O4 N1 C5 C4 . . . . -2.0(3) ?
    O3 N1 C5 C4 . . . . 178.5(2) ?
    O4 N1 C5 C6 . . . . 177.5(2) ?
    O3 N1 C5 C6 . . . . -1.9(3) ?
    C4 C5 C6 C7 . . . . -0.7(3) ?
    N1 C5 C6 C7 . . . . 179.8(2) ?
    C5 C6 C7 C2 . . . . -0.2(3) ?
    C3 C2 C7 C6 . . . . 1.0(3) ?
    O1 C2 C7 C6 . . . . 176.4(2) ?
    O2 C1 C11 C16 . . . . 178.7(2) ?
    O1 C1 C11 C16 . . . . -1.6(3) ?
    O2 C1 C11 C12 . . . . -0.4(4) ?
    O1 C1 C11 C12 . . . . 179.30(19) ?
    C16 C11 C12 C13 . . . . -0.3(3) ?
    C1 C11 C12 C13 . . . . 178.79(19) ?
    C16 C11 C12 C17 . . . . 180.0(2) ?
    C1 C11 C12 C17 . . . . -0.9(3) ?
    C11 C12 C13 C14 . . . . 0.4(3) ?
    C17 C12 C13 C14 . . . . -179.8(2) ?
    C12 C13 C14 C15 . . . . 0.2(4) ?
    C13 C14 C15 C16 . . . . -1.0(4) ?
    C14 C15 C16 C11 . . . . 1.1(4) ?
    C12 C11 C16 C15 . . . . -0.4(3) ?
    C1 C11 C16 C15 . . . . -179.6(2) ?
    C2A O1A C1A O2A . . . . 6.6(4) ?
    C2A O1A C1A C11A . . . . -173.3(2) ?
    C1A O1A C2A C7A . . . . -133.2(2) ?
    C1A O1A C2A C3A . . . . 53.3(3) ?
    C7A C2A C3A C4A . . . . 0.9(3) ?
    O1A C2A C3A C4A . . . . 174.1(2) ?
    C2A C3A C4A C5A . . . . -0.6(3) ?
    C3A C4A C5A C6A . . . . 0.0(3) ?
    C3A C4A C5A N1A . . . . -179.7(2) ?
    O3A N1A C5A C6A . . . . -178.6(2) ?
    O4A N1A C5A C6A . . . . 1.4(3) ?
    O3A N1A C5A C4A . . . . 1.0(3) ?
    O4A N1A C5A C4A . . . . -178.9(2) ?
    C4A C5A C6A C7A . . . . 0.3(3) ?
    N1A C5A C6A C7A . . . . 180.0(2) ?
    C3A C2A C7A C6A . . . . -0.6(4) ?
    O1A C2A C7A C6A . . . . -174.1(2) ?
    C5A C6A C7A C2A . . . . -0.1(4) ?
    O2A C1A C11A C12A . . . . -20.9(4) ?
    O1A C1A C11A C12A . . . . 159.0(2) ?
    O2A C1A C11A C16A . . . . 160.8(3) ?
    O1A C1A C11A C16A . . . . -19.3(3) ?
    C16A C11A C12A C13A . . . . 2.2(3) ?
    C1A C11A C12A C13A . . . . -176.1(2) ?
    C16A C11A C12A C17A . . . . -179.4(2) ?
    C1A C11A C12A C17A . . . . 2.3(4) ?
    C11A C12A C13A C14A . . . . -1.9(4) ?
    C17A C12A C13A C14A . . . . 179.6(2) ?
    C12A C13A C14A C15A . . . . -0.1(4) ?
    C13A C14A C15A C16A . . . . 1.8(4) ?
    C14A C15A C16A C11A . . . . -1.5(4) ?
    C12A C11A C16A C15A . . . . -0.5(4) ?
    C1A C11A C16A C15A . . . . 177.8(2) ?
data_global
_journal_date_recd_electronic     2009-10-17
_journal_date_accepted     2009-11-02
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2009
_journal_volume     65
_journal_issue     12
_journal_page_first     o3038
_journal_page_last     o3038
_journal_paper_category     QO
_journal_coeditor_code     PV2221
_publ_contact_author_name     'Dr. Mrs. Humaira M.Siddiqi'
_publ_contact_author_address
;
Department of Chemistry, Quaid - I- Azam University, Islamabad 45320, Pakistan
;
_publ_contact_author_email     humaira_siddiqi@yahoo.com
_publ_contact_author_fax      925190642441
_publ_contact_author_phone        .92E-306
_publ_section_title
;
4-Nitrophenyl 2-methylbenzoate
;
loop_
    _publ_author_name
    _publ_author_address
    'Bibi, Uzma'
;
Department of Chemistry
Quaid-I-Azam University
Islamabad 45320
Pakistan
;
    'Siddiqi, Humaira M.'
;
Department of Chemistry
Quaid-I-Azam University
Islamabad 45320
Pakistan
;
    'Bolte, Michael'
;
Institut für Anorganische Chemie
J.-W.-Goethe-Universität Frankfurt
Max-von-Laue-Strasse 7
60438 Frankfurt/Main
Germany
;
    'Akhter, Zareen'
;
Department of Chemistry
Quaid-I-Azam University
Islamabad 45320
Pakistan
;
