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#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2101557.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2101557
loop_
_publ_author_name
'Pfefer, G.'
'Boistelle, R.'
_publ_section_title
;
 Experimental and theoretical morphologies of diuron,
 <i>N</i>'-(3,4-dichlorophenyl)-<i>N</i>,<i>N</i>-dimethylurea
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              662
_journal_page_last               667
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C9 H10 Cl2 N2 O'
_[local]_cod_chemical_formula_sum_orig 'C9 H10 Cl2 N2 O1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 101.32
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   9.191
_cell_length_b                   14.632
_cell_length_c                   7.738
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_[local]_cod_data_source_file    du0403.cif
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cl1 .4034 .4578 -.8256
Cl2 .2214 .5392 -.5534
C3 .3869 .3989 -.6346
C4 .3030 .4337 -.5187
C5 .2878 .3839 -.3735
C6 .3531 .2998 -.3396
C7 .4389 .2655 -.4573
C8 .4508 .3169 -.6041
N9 .3296 .2514 -.1922
C10 .4247 .1901 -.0996
O11 .5467 .1734 -.1351
N12 .3788 .1507 .0378
C13 .4767 .0899 .1514
C14 .2302 .1616 .0756
H15 .2222 .4116 -.2824
H16 .4948 .1999 -.4335
H17 .5142 .2897 -.6979
H18 .2316 .2632 -.1499
H19 .4490 .0900 .2820
H20 .4647 .0211 .0973
H21 .5909 .1125 .1609
H22 .2052 .2339 .0835
H23 .1496 .1302 -.0291
H24 .2247 .1289 .2006