The 1:1 adduct of 4-aminobenzoic acid with 4-aminobenzonitrile
Smith, Graham; Bott, Raymond C.; Lynch, Daniel E.; Acta Crystallographica Section C 56 (2000) 1155–1156; doi:10.1107/S010827010000874X

data_2011385
_publ_section_title
;
 The 1:1 adduct of 4-aminobenzoic acid with 4-aminobenzonitrile
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1155
_journal_page_last               1156
_journal_paper_doi               10.1107/S010827010000874X
_journal_volume                  56
_journal_year                    2000
_chemical_formula_moiety         'C7 H7 N O2 , C7 H6 N2'
_chemical_formula_sum            'C14 H13 N3 O2'
_chemical_formula_weight         255.28
_chemical_melting_point          480.0(10)
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 94.79(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.860(3)
_cell_length_b                   32.543(4)
_cell_length_c                   8.538(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    153
_cell_measurement_theta_max      20
_cell_measurement_theta_min      10
_cell_volume                     1345.6(10)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
 1993)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1985)'
_computing_publication_material  TEXSAN
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_computing_structure_solution    'SIR88 (Burla et al., 1989)'
_diffrn_ambient_temperature      153
_diffrn_measurement_device       'Rigaku AFC-7R'
_diffrn_measurement_method       '\w scans with profile analysis'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         '12kW rotating anode X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .7107
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_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       0
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_diffrn_reflns_reduction_process TEXSAN
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_diffrn_standards_decay_%        .0
_diffrn_standards_interval_time  150
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_exptl_absorpt_coefficient_mu    .087
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_refine_ls_structure_factor_coef F
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '479-481' was changed to '480.0(10)'
- the average value was taken and precision was
estimated.

'_atom_site_thermal_displace_type' tag value 'Uij' was
replaced with 'Uani' value 32 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_chemical_melting_point' value '479-481' was changed to '480.0(10)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1345.6(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2011385