2-{[4-(Trimethylstannylthio)phenylimino]methyl}phenol
Jikun Li; Chunlin Ma; Guofang He; Acta Crystallographica Section E 63 (2007) m2498–m2498; doi:10.1107/S1600536807043371

data_2215677
_publ_section_title
;
 2-{[4-(Trimethylstannylthio)phenylimino]methyl}phenol
;
_journal_coeditor_code           TK2193
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2498
_journal_page_last               m2498
_journal_paper_doi               10.1107/S1600536807043371
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C16 H19 N O S Sn'
_chemical_formula_moiety         'C16 H19 N O S Sn'
_chemical_formula_sum            'C16 H19 N O S Sn'
_chemical_formula_weight         392.07
_chemical_name_systematic
;
2-{[4-(Trimethylstannylthio)phenylimino]methyl}phenol
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 96.254(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.1385(16)
_cell_length_b                   6.4148(12)
_cell_length_c                   24.490(2)
_cell_measurement_reflns_used    2868
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.6
_cell_measurement_theta_min      3.0
_cell_volume                     1739.4(4)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997b)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Siemens SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.051
_diffrn_reflns_av_sigmaI/netI    0.052
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            8291
_diffrn_reflns_theta_full        25.1
_diffrn_reflns_theta_max         25.1
_diffrn_reflns_theta_min         1.7
_exptl_absorpt_coefficient_mu    1.584
_exptl_absorpt_correction_T_max  0.858
_exptl_absorpt_correction_T_min  0.797
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             784
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.38
_refine_diff_density_min         -0.96
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.01
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     184
_refine_ls_number_reflns         3104
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.99
_refine_ls_R_factor_all          0.076
_refine_ls_R_factor_gt           0.054
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0880P)^2^+2.8254P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.148
_refine_ls_wR_factor_ref         0.165
_reflns_number_gt                2284
_reflns_number_total             3104
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            tk2193.cif
_cod_data_source_block           I
_cod_original_cell_volume        1739.5(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2215677
_cod_database_fobs_code          2215677