#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000635.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_2000635
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1701
_journal_page_last  1703
loop_
_publ_author_name
 'Evans, K.L.'
 'Fronczek, F.R.'
 'Gandour, R.D.'
_chemical_formula_sum  'C9 H9 Cl1 O2'
_chemical_formula_weight  184.6
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
_symmetry_space_group_name_Hall  ?
_cell_length_a  7.6079(7)
_cell_length_b  12.296(2)
_cell_length_c  9.9240(13)
_cell_angle_alpha  90.
_cell_angle_beta  111.097(9)
_cell_angle_gamma  90.
_cell_volume  866.1(2)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.416
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  384
_exptl_absorpt_coefficient_mu  3.59
_diffrn_radiation_type  Cu
_diffrn_radiation_wavelength  1.54184
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 Cl1 .28539(8) .16557(5) .42518(6)
 O1 .1355(2) .3681(2) .2867(2)
 O2 .2922(2) .80520(10)
       .64920(10)
 C1 .2340(2) .4936(2) .4793(2)
 C2 .1426(2) .5797(2) .3931(2)
 C3 .1568(2) .6847(2) .4445(2)
 C4 .2656(2) .7052(2) .5878(2)
 C5 .3558(3) .6195(2) .6771(2)
 C6 .3410(2) .5156(2) .6246(2)
 C7 .2176(2) .3840(2) .4147(2)
 C8 .3115(3) .2920(2) .5159(2)
 C9 .2170(3) .8970(2) .5589(3)
 H2 .070(2) .563(2) .299(2)
 H3 .097(2) .739(2) .386(2)
 H5 .432(2) .638(2) .772(2)
 H6 .409(2) .460(2) .683(2)
 H81 .453(2) .308(2) .564(2)
 H82 .267(2) .281(2) .593(2)
 H91 .259(3) .962(2) .630(2)
 H92 .293(3) .904(2) .489(3)
 H93 .097(2) .894(2) .519(2)