2,6-Dichloro-<i>N</i>-(4-methylphenyl)benzamide
Wei, Peng-Fei; Hao, Ling-Yun; Yang, Xiao-Li; Ye, Yuan-Feng; Feng, Zhi-Qiang; Acta Crystallographica Section E 68 (2012) o1417–; doi:10.1107/S1600536812015188

data_2234889
_publ_section_title
;
 2,6-Dichloro-<i>N</i>-(4-methylphenyl)benzamide
;
_journal_coeditor_code           ZS2197
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1417
_journal_paper_doi               10.1107/S1600536812015188
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          'C14 H11 Cl2 N O'
_chemical_formula_moiety         'C14 H11 Cl2 N O'
_chemical_formula_sum            'C14 H11 Cl2 N O'
_chemical_formula_weight         280.14
_chemical_name_common            2,6-dichloro-<i>N</i>-(4-methylphenyl)benzamide
_chemical_name_systematic
;
2,6-Dichloro-<i>N</i>-(4-methylphenyl)benzamide
;
_space_group_IT_number           14
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_symmetry_space_group_name_Hall  '-P 2ybc'
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_atom_sites_solution_hydrogens   geom
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_cell_angle_alpha                90.00
_cell_angle_beta                 100.65(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
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_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      13
_cell_measurement_theta_min      9
_cell_volume                     1368.2(5)
_computing_cell_refinement       'CAD-4 Software (Enraf--Nonius, 1989)'
_computing_data_collection       'CAD-4 Software (Enraf--Nonius, 1989)'
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_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
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_diffrn_reflns_theta_max         25.39
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_diffrn_standards_interval_count 200
_diffrn_standards_interval_time  2
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_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>, 1968)'
_exptl_crystal_colour            yellow
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_R_factor_all          0.1021
_refine_ls_R_factor_gt           0.0533
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0700P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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