data_2012634
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  m266
_journal_page_last  m267
_publ_section_title
;
[5-Bromo-N-(2-carboxylatophenyl)salicylideniminato]dimethyltin(IV)
;
loop_
_publ_author_name
  'Georgina M. Rosair'
  'Dey, Dilip Kumar'
  'Samanta, Brajagopal'
  'Mitra, Samiran'
_chemical_formula_moiety  'C16 H14 Br N O3 Sn'
_chemical_formula_sum  'C16 H14 Br N O3 Sn'
_chemical_formula_iupac  '[Sn (C14 H8 Br N O3) (C H3)2]'
_chemical_formula_weight  466.886
_chemical_melting_point  >517
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_space_group_name_Hall  P2yn
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, -y-1/2, z-1/2'
_cell_length_a  8.8719(17)
_cell_length_b  12.0961(17)
_cell_length_c  15.323(4)
_cell_angle_alpha  90
_cell_angle_beta  94.702(16)
_cell_angle_gamma  90
_cell_volume  1638.8(5)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.892
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Sn1 0.07632(4) 0.83956(3) 0.98368(2) 0.02925(15) Uani d . 1 . . Sn
  Br1 0.62844(7) 0.44430(5) 1.19032(4) 0.04488(19) Uani d . 1 . . Br
  O3 0.2377(5) 1.1790(3) 0.9619(3) 0.0450(10) Uani d . 1 . . O
  N1 0.3177(5) 0.8352(3) 0.9486(3) 0.0284(9) Uani d . 1 . . N
  C22 0.4206(7) 1.0956(5) 0.8371(4) 0.0383(12) Uani d . 1 . . C
  H22 0.4015 1.1712 0.8379 0.046 Uiso calc R 1 . . H
  O1 0.1084(4) 0.6629(3) 0.9791(2) 0.0349(9) Uani d . 1 . . O
  O2 0.1407(4) 1.0157(3) 0.9839(3) 0.0394(9) Uani d . 1 . . O
  C13 0.4653(6) 0.5115(4) 1.1220(3) 0.0318(11) Uani d . 1 . . C
  C21 0.3491(6) 1.0270(4) 0.8943(3) 0.0304(11) Uani d . 1 . . C
  C20 0.2390(6) 1.0784(4) 0.9507(3) 0.0312(11) Uani d . 1 . . C
  C14 0.4893(6) 0.6101(4) 1.0811(3) 0.0298(11) Uani d . 1 . . C
  H14 0.5854 0.6415 1.0856 0.036 Uiso calc R 1 . . H
  C16 0.4099(6) 0.7609(4) 0.9852(3) 0.0303(11) Uani d . 1 . . C
  H16 0.5126 0.7719 0.9803 0.036 Uiso calc R 1 . . H
  C10 0.2235(6) 0.6157(4) 1.0237(3) 0.0313(11) Uani d . 1 . . C
  C15 0.3690(6) 0.6644(4) 1.0322(3) 0.0286(10) Uani d . 1 . . C
  C11 0.2059(7) 0.5114(4) 1.0646(4) 0.0378(12) Uani d . 1 . . C
  H11 0.1121 0.4766 1.0587 0.045 Uiso calc R 1 . . H
  C12 0.3228(6) 0.4614(4) 1.1122(4) 0.0372(12) Uani d . 1 . . C
  H12 0.3079 0.3934 1.1384 0.045 Uiso calc R 1 . . H
  C26 0.3816(6) 0.9123(4) 0.8921(3) 0.0281(10) Uani d . 1 . . C
  C24 0.5466(8) 0.9440(5) 0.7769(4) 0.0495(15) Uani d . 1 . . C
  H24 0.6114 0.9161 0.7375 0.059 Uiso calc R 1 . . H
  C25 0.4785(7) 0.8737(5) 0.8328(4) 0.0393(12) Uani d . 1 . . C
  H25 0.4984 0.7983 0.8305 0.047 Uiso calc R 1 . . H
  C23 0.5181(8) 1.0552(5) 0.7799(4) 0.0466(14) Uani d . 1 . . C
  H23 0.5647 1.1032 0.7431 0.056 Uiso calc R 1 . . H
  C101 0.1064(8) 0.8372(5) 1.1209(4) 0.0451(14) Uani d . 1 . . C
  H10D 0.0845 0.9090 1.1433 0.068 Uiso calc R 1 . . H
  H10E 0.2091 0.8177 1.1391 0.068 Uiso calc R 1 . . H
  H10F 0.0393 0.7837 1.1431 0.068 Uiso calc R 1 . . H
  C102 -0.0435(8) 0.8364(5) 0.8597(4) 0.0440(15) Uani d . 1 . . C
  H10A -0.1155 0.7770 0.8573 0.066 Uiso calc R 1 . . H
  H10B 0.0259 0.8255 0.8156 0.066 Uiso calc R 1 . . H
  H10C -0.0957 0.9053 0.8495 0.066 Uiso calc R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Sn1 0.0260(2) 0.0224(2) 0.0394(2) -0.00248(13) 0.00318(15) -0.00010(13)
  Br1 0.0502(4) 0.0415(3) 0.0415(3) 0.0087(3) -0.0046(3) 0.0072(2)
  O1 0.0305(19) 0.0239(19) 0.049(2) -0.0022(15) -0.0025(17) -0.0021(15)
  O2 0.034(2) 0.0225(18) 0.064(3) -0.0039(16) 0.0181(19) -0.0047(16)
  O3 0.042(2) 0.0241(19) 0.071(3) -0.0077(17) 0.015(2) -0.0064(18)
  N1 0.024(2) 0.023(2) 0.039(2) -0.0026(17) 0.0076(18) 0.0008(16)
  C10 0.036(3) 0.021(2) 0.037(3) -0.001(2) 0.004(2) -0.003(2)
  C11 0.035(3) 0.028(3) 0.052(3) -0.007(2) 0.004(3) 0.001(2)
  C12 0.038(3) 0.028(3) 0.047(3) -0.004(2) 0.010(3) 0.005(2)
  C13 0.037(3) 0.031(3) 0.028(2) 0.005(2) 0.004(2) 0.000(2)
  C14 0.028(3) 0.028(3) 0.034(3) -0.002(2) 0.002(2) -0.002(2)
  C15 0.028(3) 0.025(2) 0.034(2) -0.001(2) 0.009(2) -0.0012(19)
  C16 0.025(2) 0.026(2) 0.040(3) -0.006(2) 0.003(2) 0.000(2)
  C20 0.026(3) 0.023(3) 0.045(3) -0.003(2) 0.003(2) 0.000(2)
  C21 0.025(3) 0.026(2) 0.039(3) -0.007(2) -0.001(2) 0.001(2)
  C22 0.040(3) 0.027(3) 0.048(3) -0.004(2) 0.002(3) 0.006(2)
  C23 0.052(4) 0.041(3) 0.048(3) -0.011(3) 0.015(3) 0.012(3)
  C24 0.054(4) 0.046(3) 0.052(3) 0.003(3) 0.025(3) 0.007(3)
  C25 0.041(3) 0.028(3) 0.051(3) 0.004(2) 0.014(3) 0.005(2)
  C26 0.025(2) 0.023(2) 0.036(3) -0.003(2) 0.000(2) 0.0043(19)
  C101 0.045(4) 0.046(3) 0.045(3) 0.005(3) 0.008(3) 0.000(2)
  C102 0.049(4) 0.039(3) 0.042(3) 0.008(3) -0.013(3) -0.005(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Sn1 C101 . 2.098(6) y
  Sn1 C102 . 2.100(5) y
  Sn1 O1 . 2.158(3) y
  Sn1 O2 . 2.206(4) y
  Sn1 O2 3_577 2.679(4) y
  Sn1 O3 3_577 2.981(4) y
  Sn1 N1 . 2.251(4) y
  Br1 C13 . 1.898(5) ?
  O3 C20 . 1.230(6) ?
  N1 C16 . 1.309(6) ?
  N1 C26 . 1.422(6) ?
  C22 C23 . 1.371(9) ?
  C22 C21 . 1.396(7) ?
  C22 H22 . 0.9300 ?
  O1 C10 . 1.312(6) ?
  O2 C20 . 1.291(6) ?
  C13 C14 . 1.372(7) ?
  C13 C12 . 1.399(8) ?
  C21 C26 . 1.418(7) ?
  C21 C20 . 1.492(7) ?
  C14 C15 . 1.415(7) ?
  C14 H14 . 0.9300 ?
  C16 C15 . 1.433(7) ?
  C16 H16 . 0.9300 ?
  C10 C15 . 1.415(7) ?
  C10 C11 . 1.423(7) ?
  C11 C12 . 1.360(8) ?
  C11 H11 . 0.9300 ?
  C12 H12 . 0.9300 ?
  C26 C25 . 1.382(8) ?
  C24 C23 . 1.370(9) ?
  C24 C25 . 1.382(8) ?
  C24 H24 . 0.9300 ?
  C25 H25 . 0.9300 ?
  C23 H23 . 0.9300 ?
  C101 H10D . 0.9600 ?
  C101 H10E . 0.9600 ?
  C101 H10F . 0.9600 ?
  C102 H10A . 0.9600 ?
  C102 H10B . 0.9600 ?
  C102 H10C . 0.9600 ?