#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/55/2005598.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_2005598
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_journal_page_first 	2941
_journal_page_last 	2942
_publ_section_title
;
N'-[Bis(methylthio)methylene]cyanoacetohydrazide
;
_chemical_formula_sum 	'C6 H9 N3 O S2'
_chemical_formula_weight 	203.28
_symmetry_cell_setting 	orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
 'x,y,z'
 '1/2-x,-y,1/2+z'
 '-x,1/2+y,1/2-z'
 '1/2+x,1/2-y,-z'
_symmetry_space_group_name_H-M 	'P 21 21 21'
_cell_length_a 	4.634(1)
_cell_length_b 	13.069(4)
_cell_length_c 	15.832(5)
_cell_angle_alpha 	90
_cell_angle_beta 	90
_cell_angle_gamma 	90
_cell_volume 	958.8(5)
_cell_formula_units_Z 	4
_exptl_crystal_density_diffrn 	1.41
_cell_measurement_temperature 	293
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 S(1) .2109(4) .5561(1) .7877(1) .068(1)
 S(2) .5141(4) .7593(1) .7911(1) .073(1)
 O(1) -.1072(8) .8186(3) .5709(3) .072(2)
 N(1) .3261(10) .7759(3) .6240(3) .054(1)
 N(2) .2199(10) .6846(3) .6600(2) .055(1)
 N(3) -.0474(13) 1.0518(4) .4719(3) .077(2)
 C(1) .1528(11) .8302(3) .5753(3) .049(2)
 C(2) .3073(12) .9125(4) .5226(3) .059(2)
 C(3) .1046(12) .9900(4) .4932(3) .056(2)
 C(4) .3061(11) .6700(3) .7361(3) .053(1)
 C(5) -.0010(5) .4937(4) .7089(4) .077(2)
 C(6) .571(2) .7031(5) .8928(4) .097(3)
 H(1) .542(14) .782(4) .619(3) .06
 H(2)a .398 .880 .475 .008
 H(2)b .455 .945 .556 .008
 H(5)a -.045 .426 .728 .008
 H(5)b .103 .490 .657 .008
 H(5)c -.178 .530 .699 .008
 H(6)a .696 .746 .926 .008
 H(6)b .656 .636 .888 .008
 H(6)c .389 .697 .921 .008
_cod_database_code 2005598