Crystal structure of the 1:1 adduct of 2,3-diphenyl-3,4,5,6-tetrahydro-2<i>H</i>-1,3-thiazin-4-one with triphenyltin chloride
Yennawar, Hemant P.; Fox, Ryan; Silverberg, Lee J.; Acta Crystallographica Section E 72 (2016) 276–279; doi:10.1107/S2056989016001730

data_2241536
_publ_section_title
;
 Crystal structure of the 1:1 adduct of
 2,3-diphenyl-3,4,5,6-tetrahydro-2<i>H</i>-1,3-thiazin-4-one with
 triphenyltin chloride
;
_journal_coeditor_code           BG2579
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              276
_journal_page_last               279
_journal_paper_doi               10.1107/S2056989016001730
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          '[Sn (C6 H5)3 Cl (C16 H15 N O S)]'
_chemical_formula_moiety         'C34 H30 Cl N O S Sn'
_chemical_formula_sum            'C34 H30 Cl N O S Sn'
_chemical_formula_weight         654.79
_chemical_name_systematic
Chlorido(2,3-diphenyl-3,4,5,6-tetrahydro-2<i>H</i>-1,3-thiazin-4-one-\k<i>O</i>)triphenyltin
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
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;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
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_cell_length_b                   9.5675(16)
_cell_length_c                   28.891(5)
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_cell_measurement_theta_max      28.195
_cell_measurement_theta_min      2.243
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;
SMART (Bruker, 2001)
;
_computing_data_collection
;
SMART (Bruker, 2001)
;
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SAINT (Bruker, 2001)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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SHELXL2014 (Sheldrick, 2015)
;
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;
<i>olex2.solve</i> (Bourhis <i>et al.</i>,  2015)
;
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_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'Parallel, graphite'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0236
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            27794
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.296
_diffrn_reflns_theta_min         1.975
_exptl_absorpt_coefficient_mu    1.040
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.819504
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2001)
;
_exptl_crystal_colour            'clear colourless'
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_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.137
_refine_diff_density_min         -1.071
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         7403
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0557
_refine_ls_R_factor_gt           0.0479
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1378
_refine_ls_wR_factor_ref         0.1435
_reflns_number_gt                6561
_reflns_number_total             7403
_reflns_threshold_expression     'I > 2\s(I)'
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