#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005103.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_2005103
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_journal_page_first     1681
_journal_page_last     1683
_publ_section_title
;
p-Arsanilic Acid, a Redetermination
;
_chemical_formula_sum     'C6 H8 As N O3'
_chemical_formula_weight     217.06
_symmetry_cell_setting    'monoclinic'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_[local]_cod_cif_authors_sg_H-M  'P 21'
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'-x,y+1/2,-z'
_cell_length_a     7.241(2)
_cell_length_b     6.2140(10)
_cell_length_c     8.6430(10)
_cell_angle_alpha     90
_cell_angle_beta     101.190(10)
_cell_angle_gamma     90
_cell_volume     381.50(10)
_cell_formula_units_Z     2
_exptl_crystal_density_diffrn     1.889
_cell_measurement_temperature     295.0(10)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
As  .16284(9) .0  .18292(6) 1.64(4)
O1  .3398(8)  -.0623(8)  .0953(5) 2.3(2)
O2  -.0454(8)  -.0965(9)  .0926(6) 2.2(2)
O3  .1476(9)  .2778(13)  .1994(7) 3.2(4)
N  .3291(10) -0.3452(12)  .8588(9) 1.8(2)
C1  .2128(11)  -.0951(12)  .3967(9) 1.5(3)
C2  .2887(13) -0.3006(14)  .4248(9) 2.3(4)
C3  .3238(10) -0.3785(12)  .5774(8) 2.0(3)
C4  .2917(13) -0.2525(13)  .6981(8) 2.0(3)
C5  .2280(15)  -.0479(10)  .6754(8) 1.7(3)
C6  .1808(12)  .0307(12)  .5191(8) 2.0(3)
H1  .3141 -0.3864  .3420 ?
H2  .3693 -0.5227  .5962 ?
H3  .2153 -0.3478  .8990 ?
H4  .3773 -0.4866  .8579 ?
H5  .4191 -0.2580  .9282 ?
H6  .2092  .0397  .7617 ?
H7  .1283  .1677  .4975 ?
_cod_database_code 2005103