##############################################################################
#                                                                            #
# 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
;
4-Nitrophenyl 4-hydroxy-3-methylbenzoate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C14 H11 N O5'
_chemical_formula_sum     'C14 H11 N O5'
_chemical_formula_iupac     'C14 H11 N O5'
_chemical_formula_weight     273.24
_chemical_melting_point     453
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'C 2/c'
_symmetry_space_group_name_Hall     '-C 2yc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z-1/2'
_cell_length_a     42.313(6)
_cell_length_b     8.0047(11)
_cell_length_c     16.1078(18)
_cell_angle_alpha     90.00
_cell_angle_beta     105.819(4)
_cell_angle_gamma     90.00
_cell_volume     5249.2(12)
_cell_formula_units_Z     16
_cell_measurement_reflns_used     4602
_cell_measurement_theta_min     2.00
_cell_measurement_theta_max     25.10
_cell_measurement_temperature     298(2)
_exptl_crystal_description     Plate
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.24
_exptl_crystal_size_mid     0.20
_exptl_crystal_size_min     0.16
_exptl_crystal_density_diffrn     1.383
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     2272
_exptl_absorpt_coefficient_mu     0.107
_exptl_absorpt_correction_type     psi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 2007)'
_exptl_absorpt_correction_T_min     0.9749
_exptl_absorpt_correction_T_max     0.9831
_exptl_special_details
;
IR (cm⁻¹); 2923, 2851, 1739, 1603, 1513, 1246, 1199;. 1H-NMR (400 MHz,
CDCl₃):8.27 (d, 2H, J = 8.56 Hz, Ar---H), 7.79 (m, 2H, Ar---H), 7.43 (m, 2H,
Ar---H), 6.78 (m, 1H, Ar---H), 5.01 (s, 1H, Ar---OH), 2.34 (t, 3H, J = 6.5 Hz,
Ar---CH3); Elemental analysis: C₁₄H₁₁NO₅ requires C, 61.54; H, 4.06; N,
5.13; found C, 61.95;H, 4.34; N, 4.79.
;
_diffrn_ambient_temperature     298(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 SMART CCD'
_diffrn_measurement_method     'ω and φ scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     28460
_diffrn_reflns_av_R_equivalents     0.0535
_diffrn_reflns_av_sigmaI/netI     0.0329
_diffrn_reflns_theta_min     2.00
_diffrn_reflns_theta_max     25.10
_diffrn_reflns_theta_full     25.10
_diffrn_measured_fraction_theta_max     0.983
_diffrn_measured_fraction_theta_full     0.983
_diffrn_reflns_limit_h_min     -49
_diffrn_reflns_limit_h_max     50
_diffrn_reflns_limit_k_min     -9
_diffrn_reflns_limit_k_max     9
_diffrn_reflns_limit_l_min     -19
_diffrn_reflns_limit_l_max     19
_diffrn_standards_number     .
_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 >
2σ(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     4602
_reflns_number_gt     3349
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0692
_refine_ls_R_factor_gt     0.0469
_refine_ls_wR_factor_gt     0.1275
_refine_ls_wR_factor_ref     0.1428
_refine_ls_goodness_of_fit_ref     1.024
_refine_ls_restrained_S_all     1.024
_refine_ls_number_reflns     4602
_refine_ls_number_parameters     361
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0757P)²+2.2456P] 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     0.263
_refine_diff_density_min     -0.203
_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     'SMART (Bruker, 2001)'
_computing_cell_refinement     'SAINT (Bruker, 2001)'
_computing_data_reduction     'SAINT (Bruker, 2001)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'ORTEP-3 (Farrugia, 2012)'
_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_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    O O1A -0.03888(3) -0.32059(16) 0.40683(10) 0.0550(4) Uani d . 1 1 . .
    H H1A -0.0263 -0.3968 0.4036 0.082 Uiso calc R 1 1 . .
    O O2A 0.00229(4) 0.43257(18) 0.37864(11) 0.0652(4) Uani d . 1 1 . .
    O O3A 0.04796(3) 0.29667(16) 0.37629(10) 0.0542(4) Uani d . 1 1 . .
    O O4A 0.12917(6) 0.9576(3) 0.45292(13) 0.1007(7) Uani d . 1 1 . .
    O O5A 0.11233(7) 0.9690(3) 0.31718(14) 0.1168(9) Uani d . 1 1 . .
    N N6A 0.11378(5) 0.9012(2) 0.38481(14) 0.0611(5) Uani d . 1 1 . .
    C C7A -0.07695(5) -0.0418(3) 0.41356(16) 0.0605(6) Uani d . 1 1 . .
    H H7A1 -0.0824 -0.1574 0.4175 0.091 Uiso calc R 1 1 . .
    H H7A2 -0.0930 0.0096 0.3666 0.091 Uiso calc R 1 1 . .
    H H7A3 -0.0767 0.0139 0.4665 0.091 Uiso calc R 1 1 . .
    C C8A -0.04364(5) -0.0287(2) 0.39804(12) 0.0432(5) Uani d . 1 1 . .
    C C9A -0.02951(5) 0.1231(2) 0.38957(12) 0.0446(5) Uani d . 1 1 . .
    H H9A -0.0412 0.2204 0.3921 0.053 Uiso calc R 1 1 . .
    C C10A 0.00168(5) 0.1357(2) 0.37741(12) 0.0418(4) Uani d . 1 1 . .
    C C11A 0.01863(5) -0.0096(2) 0.37014(13) 0.0462(5) Uani d . 1 1 . .
    H H11A 0.0392 -0.0033 0.3598 0.055 Uiso calc R 1 1 . .
    C C12A 0.00513(5) -0.1623(2) 0.37818(13) 0.0489(5) Uani d . 1 1 . .
    H H12A 0.0165 -0.2595 0.3729 0.059 Uiso calc R 1 1 . .
    C C13A -0.02537(5) -0.1723(2) 0.39407(12) 0.0423(4) Uani d . 1 1 . .
    C C14A 0.01605(5) 0.3012(2) 0.37702(12) 0.0440(5) Uani d . 1 1 . .
    C C15A 0.06391(5) 0.4505(2) 0.37895(13) 0.0462(5) Uani d . 1 1 . .
    C C16A 0.08228(5) 0.5103(3) 0.45681(14) 0.0542(5) Uani d . 1 1 . .
    H H16A 0.0835 0.4515 0.5074 0.065 Uiso calc R 1 1 . .
    C C17A 0.09898(5) 0.6592(3) 0.45916(13) 0.0526(5) Uani d . 1 1 . .
    H H17A 0.1117 0.7023 0.5112 0.063 Uiso calc R 1 1 . .
    C C18A 0.09643(5) 0.7423(3) 0.38305(13) 0.0465(5) Uani d . 1 1 . .
    C C19A 0.07829(5) 0.6819(3) 0.30503(13) 0.0530(5) Uani d . 1 1 . .
    H H19A 0.0771 0.7404 0.2544 0.064 Uiso calc R 1 1 . .
    C C20A 0.06183(5) 0.5328(3) 0.30305(14) 0.0544(5) Uani d . 1 1 . .
    H H20A 0.0495 0.4886 0.2509 0.065 Uiso calc R 1 1 . .
    O O1B 0.29237(4) 0.4579(3) 0.43358(10) 0.0803(6) Uani d . 1 1 . .
    H H1B 0.2789 0.4362 0.4602 0.120 Uiso calc R 1 1 . .
    O O2B 0.24794(5) 0.5330(3) 0.02839(11) 0.1045(8) Uani d . 1 1 . .
    O O3B 0.20070(4) 0.4732(2) 0.05604(9) 0.0719(5) Uani d . 1 1 . .
    O O4B 0.13548(7) 0.4123(4) -0.33906(14) 0.1226(9) Uani d . 1 1 . .
    O O5B 0.11288(6) 0.6376(3) -0.31360(14) 0.1102(8) Uani d . 1 1 . .
    N N6B 0.13174(6) 0.5217(3) -0.29087(14) 0.0750(6) Uani d . 1 1 . .
    C C7B 0.33294(6) 0.5292(5) 0.33073(18) 0.0921(10) Uani d . 1 1 . .
    H H7B1 0.3386 0.5163 0.3923 0.138 Uiso calc R 1 1 . .
    H H7B2 0.3383 0.6403 0.3168 0.138 Uiso calc R 1 1 . .
    H H7B3 0.3450 0.4497 0.3068 0.138 Uiso calc R 1 1 . .
    C C8B 0.29669(5) 0.4997(3) 0.29354(13) 0.0557(6) Uani d . 1 1 . .
    C C9B 0.28152(5) 0.5074(3) 0.20657(14) 0.0582(6) Uani d . 1 1 . .
    H H9B 0.2942 0.5300 0.1689 0.070 Uiso calc R 1 1 . .
    C C10B 0.24797(5) 0.4827(3) 0.17292(13) 0.0515(5) Uani d . 1 1 . .
    C C11B 0.22927(6) 0.4457(3) 0.22887(14) 0.0628(6) Uani d . 1 1 . .
    H H11B 0.2068 0.4271 0.2075 0.075 Uiso calc R 1 1 . .
    C C12B 0.24386(6) 0.4367(4) 0.31560(14) 0.0663(7) Uani d . 1 1 . .
    H H12B 0.2312 0.4119 0.3531 0.080 Uiso calc R 1 1 . .
    C C13B 0.27708(5) 0.4640(3) 0.34785(13) 0.0553(5) Uani d . 1 1 . .
    C C14B 0.23353(6) 0.4987(3) 0.08041(14) 0.0615(6) Uani d . 1 1 . .
    C C15B 0.18461(5) 0.4871(3) -0.03191(14) 0.0592(6) Uani d . 1 1 . .
    C C16B 0.18584(6) 0.3559(3) -0.08597(16) 0.0668(6) Uani d . 1 1 . .
    H H16B 0.1981 0.2609 -0.0650 0.080 Uiso calc R 1 1 . .
    C C17B 0.16863(6) 0.3677(3) -0.17177(15) 0.0654(6) Uani d . 1 1 . .
    H H17B 0.1693 0.2816 -0.2100 0.078 Uiso calc R 1 1 . .
    C C18B 0.15043(6) 0.5094(3) -0.19964(14) 0.0591(6) Uani d . 1 1 . .
    C C19B 0.14870(6) 0.6388(3) -0.14563(16) 0.0646(6) Uani d . 1 1 . .
    H H19B 0.1360 0.7325 -0.1661 0.077 Uiso calc R 1 1 . .
    C C20B 0.16627(6) 0.6272(3) -0.06012(15) 0.0647(6) Uani d . 1 1 . .
    H H20B 0.1657 0.7136 -0.0220 0.078 Uiso calc R 1 1 . .
_geom_special_details
;
All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are
estimated using the full covariance matrix. The cell s.u.'s are taken into
account individually in the estimation of s.u.'s in distances, angles and
torsion angles; correlations between s.u.'s in cell parameters are only used
when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell s.u.'s is used for estimating s.u.'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
    O1A C13A . 1.357(2) ?
    O1A H1A . 0.8200 ?
    O2A C14A . 1.205(2) ?
    O3A C14A . 1.354(2) ?
    O3A C15A . 1.399(2) ?
    O4A N6A . 1.201(3) ?
    O5A N6A . 1.204(3) ?
    N6A C18A . 1.465(3) ?
    C7A C8A . 1.501(3) ?
    C7A H7A1 . 0.9600 ?
    C7A H7A2 . 0.9600 ?
    C7A H7A3 . 0.9600 ?
    C8A C9A . 1.377(3) ?
    C8A C13A . 1.396(3) ?
    C9A C10A . 1.390(3) ?
    C9A H9A . 0.9300 ?
    C10A C11A . 1.388(3) ?
    C10A C14A . 1.459(3) ?
    C11A C12A . 1.371(3) ?
    C11A H11A . 0.9300 ?
    C12A C13A . 1.385(3) ?
    C12A H12A . 0.9300 ?
    C15A C16A . 1.369(3) ?
    C15A C20A . 1.370(3) ?
    C16A C17A . 1.381(3) ?
    C16A H16A . 0.9300 ?
    C17A C18A . 1.373(3) ?
    C17A H17A . 0.9300 ?
    C18A C19A . 1.370(3) ?
    C19A C20A . 1.378(3) ?
    C19A H19A . 0.9300 ?
    C20A H20A . 0.9300 ?
    O1B C13B . 1.357(3) ?
    O1B H1B . 0.8200 ?
    O2B C14B . 1.195(3) ?
    O3B C14B . 1.352(3) ?
    O3B C15B . 1.399(3) ?
    O4B N6B . 1.209(3) ?
    O5B N6B . 1.214(3) ?
    N6B C18B . 1.470(3) ?
    C7B C8B . 1.505(3) ?
    C7B H7B1 . 0.9600 ?
    C7B H7B2 . 0.9600 ?
    C7B H7B3 . 0.9600 ?
    C8B C9B . 1.374(3) ?
    C8B C13B . 1.390(3) ?
    C9B C10B . 1.389(3) ?
    C9B H9B . 0.9300 ?
    C10B C11B . 1.384(3) ?
    C10B C14B . 1.454(3) ?
    C11B C12B . 1.367(3) ?
    C11B H11B . 0.9300 ?
    C12B C13B . 1.377(3) ?
    C12B H12B . 0.9300 ?
    C15B C20B . 1.369(3) ?
    C15B C16B . 1.374(3) ?
    C16B C17B . 1.378(3) ?
    C16B H16B . 0.9300 ?
    C17B C18B . 1.376(3) ?
    C17B H17B . 0.9300 ?
    C18B C19B . 1.367(3) ?
    C19B C20B . 1.379(3) ?
    C19B H19B . 0.9300 ?
    C20B H20B . 0.9300 ?
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
    C13A O1A H1A . . 109.5 ?
    C14A O3A C15A . . 116.73(15) ?
    O4A N6A O5A . . 122.6(2) ?
    O4A N6A C18A . . 119.2(2) ?
    O5A N6A C18A . . 118.2(2) ?
    C8A C7A H7A1 . . 109.5 ?
    C8A C7A H7A2 . . 109.5 ?
    H7A1 C7A H7A2 . . 109.5 ?
    C8A C7A H7A3 . . 109.5 ?
    H7A1 C7A H7A3 . . 109.5 ?
    H7A2 C7A H7A3 . . 109.5 ?
    C9A C8A C13A . . 117.47(17) ?
    C9A C8A C7A . . 122.07(17) ?
    C13A C8A C7A . . 120.43(17) ?
    C8A C9A C10A . . 122.14(17) ?
    C8A C9A H9A . . 118.9 ?
    C10A C9A H9A . . 118.9 ?
    C11A C10A C9A . . 118.95(17) ?
    C11A C10A C14A . . 122.36(17) ?
    C9A C10A C14A . . 118.62(16) ?
    C12A C11A C10A . . 120.06(18) ?
    C12A C11A H11A . . 120.0 ?
    C10A C11A H11A . . 120.0 ?
    C11A C12A C13A . . 120.17(17) ?
    C11A C12A H12A . . 119.9 ?
    C13A C12A H12A . . 119.9 ?
    O1A C13A C12A . . 122.05(17) ?
    O1A C13A C8A . . 116.87(17) ?
    C12A C13A C8A . . 121.08(17) ?
    O2A C14A O3A . . 120.82(17) ?
    O2A C14A C10A . . 126.02(18) ?
    O3A C14A C10A . . 113.15(16) ?
    C16A C15A C20A . . 122.09(19) ?
    C16A C15A O3A . . 118.98(18) ?
    C20A C15A O3A . . 118.86(19) ?
    C15A C16A C17A . . 119.05(19) ?
    C15A C16A H16A . . 120.5 ?
    C17A C16A H16A . . 120.5 ?
    C18A C17A C16A . . 118.60(19) ?
    C18A C17A H17A . . 120.7 ?
    C16A C17A H17A . . 120.7 ?
    C19A C18A C17A . . 122.41(19) ?
    C19A C18A N6A . . 118.49(18) ?
    C17A C18A N6A . . 119.10(19) ?
    C18A C19A C20A . . 118.71(19) ?
    C18A C19A H19A . . 120.6 ?
    C20A C19A H19A . . 120.6 ?
    C15A C20A C19A . . 119.1(2) ?
    C15A C20A H20A . . 120.4 ?
    C19A C20A H20A . . 120.4 ?
    C13B O1B H1B . . 109.5 ?
    C14B O3B C15B . . 117.38(17) ?
    O4B N6B O5B . . 123.4(2) ?
    O4B N6B C18B . . 117.7(3) ?
    O5B N6B C18B . . 118.9(2) ?
    C8B C7B H7B1 . . 109.5 ?
    C8B C7B H7B2 . . 109.5 ?
    H7B1 C7B H7B2 . . 109.5 ?
    C8B C7B H7B3 . . 109.5 ?
    H7B1 C7B H7B3 . . 109.5 ?
    H7B2 C7B H7B3 . . 109.5 ?
    C9B C8B C13B . . 117.3(2) ?
    C9B C8B C7B . . 122.7(2) ?
    C13B C8B C7B . . 120.0(2) ?
    C8B C9B C10B . . 122.36(19) ?
    C8B C9B H9B . . 118.8 ?
    C10B C9B H9B . . 118.8 ?
    C11B C10B C9B . . 118.8(2) ?
    C11B C10B C14B . . 122.1(2) ?
    C9B C10B C14B . . 119.12(19) ?
    C12B C11B C10B . . 119.9(2) ?
    C12B C11B H11B . . 120.1 ?
    C10B C11B H11B . . 120.1 ?
    C11B C12B C13B . . 120.5(2) ?
    C11B C12B H12B . . 119.8 ?
    C13B C12B H12B . . 119.8 ?
    O1B C13B C12B . . 122.19(19) ?
    O1B C13B C8B . . 116.57(19) ?
    C12B C13B C8B . . 121.2(2) ?
    O2B C14B O3B . . 120.8(2) ?
    O2B C14B C10B . . 125.9(2) ?
    O3B C14B C10B . . 113.31(18) ?
    C20B C15B C16B . . 122.1(2) ?
    C20B C15B O3B . . 118.5(2) ?
    C16B C15B O3B . . 119.3(2) ?
    C15B C16B C17B . . 118.8(2) ?
    C15B C16B H16B . . 120.6 ?
    C17B C16B H16B . . 120.6 ?
    C18B C17B C16B . . 118.6(2) ?
    C18B C17B H17B . . 120.7 ?
    C16B C17B H17B . . 120.7 ?
    C19B C18B C17B . . 122.6(2) ?
    C19B C18B N6B . . 118.6(2) ?
    C17B C18B N6B . . 118.8(2) ?
    C18B C19B C20B . . 118.5(2) ?
    C18B C19B H19B . . 120.8 ?
    C20B C19B H19B . . 120.8 ?
    C15B C20B C19B . . 119.3(2) ?
    C15B C20B H20B . . 120.4 ?
    C19B C20B H20B . . 120.4 ?
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
    _geom_hbond_publ_flag
    O1A H1A O2A 1_545 0.82 1.94 2.753(2) 172 yes
    O1B H1B O2B 6_566 0.82 1.94 2.727(3) 160 yes
    C7B H7B1 O4A 7_566 0.96 2.50 3.418(3) 159 yes
    C12A H12A O2A 1_545 0.93 2.54 3.245(2) 132 yes
    C19B H19B O5A 6_575 0.93 2.58 3.476(4) 163 yes
data_global
_journal_data_validation_number     ?
_journal_date_recd_electronic     2012-11-22
_journal_date_accepted     2012-11-25
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2012
_journal_volume     68
_journal_issue     12
_journal_page_first     o3490
_journal_page_last     o3490
_journal_paper_category     QO
_journal_paper_doi     10.1107/S1600536812048271
_journal_coeditor_code     HB6999
_publ_contact_author_name     'H. C. Devarajegowda'
_publ_contact_author_address
;
Department of Physics
Yuvaraja's College (Constituent College)
University of Mysore Mysore
Karnataka
India
;
_publ_contact_author_email     'devarajegowda@yahoo.com'
_publ_contact_author_fax     '+91 0821 2419292'
_publ_contact_author_phone     '+91 0821 2518101'
_publ_section_title
;
4-Nitrophenyl 4-hydroxy-3-methylbenzoate
;
loop_
    _publ_author_name
    _publ_author_address
    'S. Sreenivasa'
;
Department of Studies and Research in Chemistry
Tumkur University
Tumkur 572 103
Karnataka, India
;
    'H. C. Devarajegowda'
;
Department of Physics
Yuvaraja's College (Constituent College)
University of Mysore, Mysore 570 005
Karnataka, India
;
    'H. T. Srinivasa'
;
Raman Research Institute
C. V. Raman Avenue
Sadashivanagar
Bangalore 560 080
Karnataka, India
;
    'Vijith Kumar'
;
Soild State and Structural Chemistry Unit
Indian Institute of Science
Bangalore 560 012
Karnataka, India
;
    'B. S. Palakshamurthy'
;
Department of Physics
Yuvaraja's College (Constituent College)
University of Mysore, Mysore 570 005
Karnataka, India
;
