2-(4-Chlorophenyl)-3-methyl-<i>N</i>-(thiazol-2-yl)butanamide
Jin-Hao Zhao; Jing-Li Cheng; Yan-Kun Huang; Guo-Nian Zhu; Acta Crystallographica Section E 62 (2006) o4840–o4841; doi:10.1107/S160053680604013X

data_2211167
_publ_section_title
;
 2-(4-Chlorophenyl)-3-methyl-<i>N</i>-(thiazol-2-yl)butanamide
;
_journal_coeditor_code           RN2012
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o4840
_journal_page_last               o4841
_journal_paper_doi               10.1107/S160053680604013X
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'C14 H15 Cl N2 O S'
_chemical_formula_moiety         'C14 H15 Cl N2 O S'
_chemical_formula_sum            'C14 H15 Cl N2 O S'
_chemical_formula_weight         294.80
_chemical_name_systematic
;
2-(4-Chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 91.497(14)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   14.925(6)
_cell_length_b                   17.712(10)
_cell_length_c                   11.214(4)
_cell_measurement_reflns_used    10387
_cell_measurement_temperature    298.0(10)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     2963(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  'CRYSTALS (Betteridge <i>et al.</i>,  2003);'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1993)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            14487
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    0.392
_exptl_absorpt_correction_T_max  0.896
_exptl_absorpt_correction_T_min  0.863
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.321
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1232.00
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.27
_refine_diff_density_min         -0.30
_refine_ls_extinction_coef       62(17)
_refine_ls_extinction_method     'Larson (1970), eq. 22'
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     173
_refine_ls_number_reflns         3382
_refine_ls_R_factor_gt           0.0378
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[0.0004Fo^2^ + \s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0978
_reflns_number_gt                2063
_reflns_number_total             3382
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            rn2012.cif
_cod_data_source_block           I
_cod_database_code               2211167
_cod_database_fobs_code          2211167