#------------------------------------------------------------------------------
#$Date: 2009-11-16 01:43:51 +0000 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004891.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_2004891
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first    	1257
_journal_page_last    	1258
_publ_section_title
;
4-Hydroxyantipyrine
;
_chemical_formula_iupac    	'C11 H12 N2 O2'
_chemical_formula_moiety    	'C11 H12 N2 O2'
_chemical_formula_sum    	'C11 H12 N2 O2'
_chemical_formula_weight    	204.23
_symmetry_cell_setting    	monoclinic
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'1/2-x, 1/2+y, 1/2-z'
'-x, -y, -z'
'1/2+x, 1/2-y, 1/2+z'
_cell_length_a    	12.461(6)
_cell_length_b    	6.454(4)
_cell_length_c    	13.621(5)
_cell_angle_alpha    	90.
_cell_angle_beta    	107.57(1)
_cell_angle_gamma    	90.
_cell_volume    	1044.3(9)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.299
_exptl_crystal_density_meas    	1.300
_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
C1 1 -0.2760(2) 0.4135(3) 0.5394(1) 0.0509(5)
C2 1 -0.2668(2) 0.5901(4) 0.5983(2) 0.0639(6)
C3 1 -0.3310(2) 0.6092(5) 0.6649(2) 0.0824(8)
C4 1 -0.4017(2) 0.4526(6) 0.6731(2) 0.0926(9)
C5 1 -0.4095(2) 0.2764(6) 0.6155(3) 0.0927(9)
C6 1 -0.3477(2) 0.2553(4) 0.5461(2) 0.0709(7)
C7 1 -0.1438(2) 0.2283(3) 0.4631(1) 0.0456(5)
C8 1 -0.0789(1) 0.3010(3) 0.3998(1) 0.0439(5)
C9 1 -0.1074(2) 0.4987(3) 0.3728(1) 0.0454(5)
C10 1 -0.0670(2) 0.6359(4) 0.3040(2) 0.0648(6)
C11 1 -0.2824(2) 0.6875(4) 0.3605(2) 0.0644(6)
N1 1 -0.2121(1) 0.3914(2) 0.4692(1) 0.0487(5)
N2 1 -0.1853(1) 0.5665(2) 0.4199(1) 0.0478(5)
O1 1 -0.1418(1) 0.0589(2) 0.5077(1) 0.0632(5)
O2 1 -0.0038(1) 0.1854(2) 0.3688(1) 0.0582(5)
H2 1 -0.2154(20) 0.7046(39) 0.5901(18) 0.077(7)
H3 1 -0.3233(26) 0.7351(57) 0.7071(26) 0.126(12)
H4 1 -0.4424(29) 0.4673(54) 0.7242(29) 0.133(12)
H5 1 -0.4553(26) 0.1523(50) 0.6156(24) 0.110(10)
H6 1 -0.3513(21) 0.1351(43) 0.5066(20) 0.084(8)
H101 1 -0.1248(22) 0.6563(39) 0.2418(21) 0.082(7)
H102 1 -0.0505(22) 0.7756(50) 0.3262(20) 0.092(9)
H103 1 -0.0022(27) 0.5757(48) 0.2927(26) 0.117(11)
H111 1 -0.2515(22) 0.8106(45) 0.3368(21) 0.088(8)
H112 1 -0.3231(24) 0.7366(43) 0.4066(22) 0.098(9)
H113 1 -0.3279(22) 0.6113(39) 0.3008(23) 0.090(8)
HO2 1 0.0433(25) 0.1036(46) 0.4255(26) 0.114(10)