data_2000483
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  2057
_journal_page_last  2058
loop_
_publ_author_name
 'Ng, S.W.'
_chemical_formula_sum  'C6 H11 N3 O2 S1'
_chemical_formula_weight  189.24
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_cell_length_a  7.652(2)
_cell_length_b  10.3980(10)
_cell_length_c  11.135(2)
_cell_angle_alpha  90.
_cell_angle_beta  96.800(10)
_cell_angle_gamma  90.
_cell_volume  879.7(3)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.430
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  400
_exptl_absorpt_coefficient_mu  3.18
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71073
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 S .1269(2) .2019(2) .12340(10)
 O1 .6948(6) .4927(5) .4250(4)
 O2 .9240(6) .3854(4) .3748(4)
 N1 .2863(6) .3845(5) .2601(4)
 N2 .4310(6) .3181(5) .1027(4)
 N3 .5636(6) .4026(5) .1448(4)
 C1 .8186(8) .4710(6) .3552(5)
 C2 .8153(8) .5643(6) .2530(6)
 C3 .8390(8) .5024(6) .1325(5)
 C4 .6925(7) .4129(5) .0833(5)
 C5 .7147(8) .3431(6) -.0301(5)
 C6 .2920(7) .3078(5) .1660(5)
 H1 .696(8) .431(6) .481(6)
 H2 .715(8) .620(6) .250(6)
 H3 .900(8) .623(6) .273(5)
 H4 .927(8) .447(6) .138(6)
 H5 .859(8) .571(6) .075(5)
 H6 .616(8) .345(6) -.088(5)
 H7 .746(8) .262(6) -.008(6)
 H8 .801(8) .380(6) -.070(6)
 H9 .433(8) .270(6) .042(6)
 H10 .196(8) .379(6) .301(5)
 H11 .369(8) .444(6) .275(5)