4-Methylcarbazole-3-carboxylic acid
Hökelek, Tuncer; Patır, Süleyman; Ergün, Yavuz; Okay, Gürol; Acta Crystallographica Section C 57 (2001) 414–416; doi:10.1107/S0108270100020199

data_2011836
_publ_section_title
;
 4-Methylcarbazole-3-carboxylic acid
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              414
_journal_page_last               416
_journal_paper_doi               10.1107/S0108270100020199
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          'C14 H11 N1 O2'
_chemical_formula_moiety         'C14 H11 N1 O2'
_chemical_formula_sum            'C14 H11 N O2'
_chemical_formula_weight         225.25
_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'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 93.530(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5730(10)
_cell_length_b                   17.7500(10)
_cell_length_c                   8.2770(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      43
_cell_measurement_theta_min      21
_cell_volume                     1110.5(2)
_computing_cell_refinement       MolEN
_computing_data_collection       'MolEN (Fair, 1990)'
_computing_data_reduction        MolEN
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  MolEN
_computing_structure_refinement  MolEN
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  .015
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            2532
_diffrn_reflns_theta_max         74.35
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .737
_exptl_absorpt_correction_T_max  .863
_exptl_absorpt_correction_T_min  .731
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(MolEN; Fair, 1990)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_density_method    none
_exptl_crystal_description       rod-shaped
_exptl_crystal_size_max          .3
_exptl_crystal_size_mid          .2
_exptl_crystal_size_min          .2
_refine_diff_density_max         .45
_refine_diff_density_min         -.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   .87
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     182
_refine_ls_number_reflns         1833
_refine_ls_R_factor_gt           .061
_refine_ls_shift/su_max          .01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         .071
_reflns_number_gt                1833
_reflns_number_total             2268
_reflns_threshold_expression     F>3\s(F)
_cod_data_source_file            av1060.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C14 H11 N1 O2'
_cod_database_code               2011836