#------------------------------------------------------------------------------
#$Date: 2009-11-16 01:43:51 +0000 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005474.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2005474
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first    	2569
_journal_page_last    	2570
_publ_section_title
;
N-(1-Methyl-2-pyrrolidinylidene-p-toluenesulfonamide:
a Condensation Product
of 4-Methylphenylsulfonyl Isocyanate and 1-Methyl-2-pyrrolidone
;
_chemical_formula_iupac    	'C12 H16 N2 O2 S'
_chemical_formula_moiety    	'C12 H16 N2 O2 S'
_chemical_formula_sum    	'C12 H16 N2 O2 S'
_chemical_formula_weight    	252.33
_symmetry_cell_setting    	monoclinic
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
    '   +x,   +y,   +z'
    '1/2-x,1/2+y,1/2-z'
    '   -x,   -y,   -z'
    '1/2+x,1/2-y,1/2+z'
_cell_length_a    	8.469(8)
_cell_length_b    	13.474(8)
_cell_length_c    	11.256(9)
_cell_angle_alpha    	90.
_cell_angle_beta    	106.29(6)
_cell_angle_gamma    	90.
_cell_volume    	1232(1)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.359
_cell_measurement_temperature    	153
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
    S1 0.3241(1) 0.16269(8) 0.57524(10) 0.0329
    O1 0.3004(4) 0.1437(2) 0.6953(3) 0.0451
    O2 0.2094(3) 0.1153(2) 0.4702(3) 0.0398
    N1 0.7295(4) 0.1254(2) 0.5038(3) 0.0286
    N2 0.5135(4) 0.1375(3) 0.5888(3) 0.0330
    C1 0.7751(5) 0.1178(3) 0.3873(4) 0.0344
    C2 0.6157(5) 0.1426(3) 0.2887(4) 0.0405
    C3 0.4800(5) 0.1369(3) 0.3532(4) 0.0341
    C4 0.5700(5) 0.1349(3) 0.4909(4) 0.0275
    C5 0.3062(5) 0.2924(3) 0.5500(4) 0.0289
    C6 0.4123(5) 0.3568(3) 0.6334(4) 0.0346
    C7 0.3935(5) 0.4582(3) 0.6167(4) 0.0382
    C8 0.2698(5) 0.4987(3) 0.5176(4) 0.0325
    C9 0.1680(5) 0.4336(3) 0.4348(4) 0.0360
    C10 0.1857(5) 0.3319(3) 0.4508(3) 0.0323
    C11 0.2512(6) 0.6090(3) 0.5052(5) 0.0474
    C12 0.8537(5) 0.1137(3) 0.6213(4) 0.0407
    H1 0.8545 0.1764 0.3923 0.0420
    H2 0.7852 0.0462 0.3727 0.0420
    H3 0.6001 0.0971 0.2168 0.0454
    H4 0.6226 0.2037 0.2760 0.0454
    H5 0.4052 0.1935 0.3343 0.0406
    H6 0.4055 0.0771 0.3332 0.0406
    H7 0.4998 0.3244 0.7207 0.0473
    H8 0.4633 0.5138 0.6699 0.0480
    H9 0.0600 0.4621 0.3531 0.0463
    H10 0.1188 0.2845 0.3918 0.0377
    H11 0.8929 0.0443 0.6411 0.0488
    H12 0.8084 0.1238 0.6902 0.0488
    H13 0.9011 0.1727 0.6288 0.0488
    H14 0.2005 0.6450 0.5542 0.0543
    H15 0.3372 0.6406 0.5284 0.0543
    H16 0.2027 0.6353 0.4343 0.0543