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#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/11/2001108.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_2001108
loop_
_publ_author_name
'Jerslev, B.'
'Larsen, S.'
_publ_section_title
;
 (E)-4-Chloro-2,6-dimethylbenzaldehyde oxime at 110 K
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              136
_journal_page_last               138
_journal_paper_doi               10.1107/S0108270191007850
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C9 H10 Cl N O'
_chemical_formula_weight         183.6
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.763(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.8553(10)
_cell_length_b                   15.399(2)
_cell_length_c                   8.5628(9)
_cell_volume                     899.4(2)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    3.403
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_F_000             384
_cod_data_source_file            ab0222.cif
_cod_data_source_block           ab0222a
_cod_original_cell_volume        899.3(3)
_cod_original_formula_sum        'C9 H10 Cl1 N1 O1'
_cod_database_code               2001108
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z+1/2
3 -x,-y,-z
4 x+1/2,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 .2306(2) .33851(8) .6001(2)
C2 .2447(2) .42713(8) .62940(10)
C3 .2455(2) .48439(8) .5041(2)
C4 .2325(2) .45154(8) .35040(10)
C5 .2175(2) .36137(8) .32190(10)
C6 .2174(2) .30508(8) .44930(10)
C7 .2326(2) .51512(8) .2207(2)
C8 .2635(2) .58061(8) .5369(2)
C9 .1966(2) .32358(9) .1585(2)
N .3484(2) .50626(7) .11470(10)
O .3263(2) .57400(6) .00320(10)
Cl .22116(6) .26783(2) .75796(4)
H2 .252(3) .4490(10) .739(2)
H6 .203(3) .2430(10) .433(2)
H7 .151(3) .5650(10) .220(2)
H8A .372(3) .6070(10) .489(2)
H8B .152(3) .6100(10) .489(2)
H8C .279(3) .5880(10) .646(2)
H9A .111(3) .3580(10) .088(2)
H9B .153(3) .2630(10) .162(2)
H9C .323(3) .3240(10) .110(2)
H1 .421(3) .5620(10) -.055(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
C1 C2 1.3892(13)
C2 C3 1.3896(14)
C3 C4 1.4043(14)
C4 C5 1.4116(13)
C5 C6 1.3938(14)
C6 C1 1.3842(14)
C1 Cl 1.7418(10)
C3 C8 1.5108(13)
C4 C7 1.4805(13)
C5 C9 1.5085(14)
C7 N 1.2721(14)
N O 1.4118(11)
