10-Hydroxybenzo[<i>h</i>]quinoline
Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.; Acta Crystallographica Section C 51 (1995) 1173–1175; doi:10.1107/S010827019401379X

data_2003520
_publ_section_title
;
 10-Hydroxybenzo[<i>h</i>]quinoline
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1173
_journal_page_last               1175
_journal_paper_doi               10.1107/S010827019401379X
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source
' synthesized from CH~2~Cl~2~--benzene system'
_chemical_formula_moiety         'C13 H9 N O'
_chemical_formula_sum            'C13 H9 N O'
_chemical_formula_weight         195.21
_chemical_name_systematic
;
 10-Hydroxybenzo[h]quinoline
;
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2b'
_symmetry_space_group_name_H-M   'P b c 21'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   4.6530(4)
_cell_length_b                   15.1910(10)
_cell_length_c                   26.902(2)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      37.54
_cell_measurement_theta_min      19.35
_cell_volume                     1901.5(2)
_computing_cell_refinement       'P2~1~ Standard'
_computing_data_collection       'P2~1~ Standard'
_computing_data_reduction        'PRADIR (Jask\'olski, 1990)'
_computing_molecular_graphics    'Stereochemical Workstation (1989)'
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1994)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Syntex P2~1~'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0176
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1312
_diffrn_reflns_theta_max         57.34
_diffrn_reflns_theta_min         3.29
_diffrn_standards_decay_%        1.5
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.695
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.364
_exptl_crystal_description       prism
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.117
_refine_diff_density_min         -0.131
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.32(56)
_refine_ls_extinction_coef       0.0048(4)
_refine_ls_extinction_method     'SHELXL93 (Sheldrick, 1994)'
_refine_ls_goodness_of_fit_all   1.213
_refine_ls_goodness_of_fit_obs   1.260
_refine_ls_hydrogen_treatment
'noref except H10A and H10B, which were refined isotropically'
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     280
_refine_ls_number_reflns         1306
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.710
_refine_ls_restrained_S_obs      1.259
_refine_ls_R_factor_all          0.0559
_refine_ls_R_factor_obs          0.0383
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
; calc w=1/[\s~2~(F~o~^2^) + (0.0150P)^2^ + 0.9500P] where
 P=(F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.1128
_refine_ls_wR_factor_obs         0.0767
_reflns_number_observed          1076
_reflns_number_total             1312
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            as1144.cif
_cod_data_source_block           zie4
_cod_database_code               2003520