#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2005184.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_2005184
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume    	C52
_journal_page_first    	1799
_journal_page_last    	1801
_publ_section_title    	
;
2-Chlorobenzimidazole
;
_chemical_formula_sum    	'C7 H5 Cl1 N2'
_chemical_formula_structural    	'C7 H5 Cl1 N2'
_chemical_formula_weight    	152.58
_symmetry_cell_setting    	orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x+1/2, y, -z+1/2'
'x, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z'
_symmetry_space_group_name_H-M    	'P b c a'
_cell_length_a    	9.937(4)
_cell_length_b    	9.192(1)
_cell_length_c    	14.417(3)
_cell_angle_alpha    	90.00
_cell_angle_beta    	90.00
_cell_angle_gamma    	90.00
_cell_volume    	1316.9(6)
_cell_formula_units_Z    	8
_exptl_crystal_density_diffrn    	1.539
_cell_measurement_temperature    	293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cl1 1 0.4035(1) 0.8919(1) 0.4074(1) 0.0932(6)
C1 1 0.3336(4) 0.5947(4) 0.5855(2) 0.0717(10)
C2 1 0.2630(5) 0.4948(4) 0.6377(3) 0.0816(11)
C3 1 0.3337(4) 0.4102(4) 0.6985(2) 0.0824(11)
C4 1 0.4731(5) 0.4262(4) 0.7083(2) 0.0862(11)
C5 1 0.5434(4) 0.5276(4) 0.6574(2) 0.0820(11)
C6 1 0.4715(4) 0.6126(4) 0.5948(2) 0.0731(10)
N7 1 0.5175(3) 0.7213(3) 0.5343(2) 0.0797(9)
C8 1 0.4081(3) 0.7607(4) 0.4920(3) 0.0752(10)
N9 1 0.2945(3) 0.6925(3) 0.5173(2) 0.0748(9)
H2 1 0.1816(44) 0.4819(50) 0.6268(30) 0.092(14)
H3 1 0.2735(39) 0.3418(40) 0.7352(26) 0.085(10)
H4 1 0.5254(34) 0.3690(34) 0.7493(23) 0.064(9)
H5 1 0.6409(46) 0.5455(48) 0.6626(28) 0.095(12)
H9 1 0.2058(56) 0.7167(60) 0.5071(35) 0.125(16)