#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005051.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_2005051
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first    	1462
_journal_page_last    	1464
_publ_section_title
;
1-Phenyl-4-imidazolidinone (Z)-Oxime
;
_chemical_formula_moiety    	'C9 H11 N3 O1'
_chemical_formula_sum            'C9 H11 N3 O'
_[local]_cod_chemical_formula_sum_orig 'C9 H11 N3 O1'
_chemical_formula_weight    	177.2
_symmetry_cell_setting    	monoclinic
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
-x,1/2+y,1/2-z
x,1/2-y,1/2+z
_cell_length_a    	15.312(3)
_cell_length_b    	5.024(1)
_cell_length_c    	12.514(3)
_cell_angle_alpha    	90.0
_cell_angle_beta    	112.23(3)
_cell_angle_gamma    	90.0
_cell_volume    	891.1(1)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.321
_cell_measurement_temperature    	298
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
O1 0.5038(3) 0.069(1) 0.3570(4) 0.043(3)
H1A 0.5358 0.0114 0.3191 0.080
N1 0.4001(4) 0.294(1) 0.4548(5) 0.046(4)
C2 0.3328(5) 0.435(2) 0.4922(6) 0.039(4)
H2A 0.2853 0.3185 0.4984 0.080
H2B 0.3645 0.5236 0.5647 0.080
N3 0.2928(5) 0.623(2) 0.3985(5) 0.046(4)
H1B 0.4024 0.1549 0.4896 0.080
C4 0.3254(5) 0.587(2) 0.3056(6) 0.039(4)
H4A 0.3551 0.7462 0.2933 0.080
H4B 0.2747 0.5381 0.2352 0.080
N4 0.4442(5) 0.278(1) 0.2938(5) 0.036(3)
C5 0.3959(5) 0.365(2) 0.3516(7) 0.032(4)
C11 0.2214(6) 0.793(2) 0.3926(7) 0.039(4)
C12 0.1789(6) 0.964(2) 0.2987(7) 0.051(4)
H12A 0.1989 0.9620 0.2347 0.080
C13 0.1084(6) 1.140(2) 0.2973(8) 0.059(5)
H13A 0.0807 1.2561 0.2323 0.080
C14 0.0779(7) 1.150(2) 0.3877(9) 0.059(5)
H14A 0.0308 1.2758 0.3876 0.080
C15 0.1167(6) 0.976(2) 0.4782(9) 0.062(5)
H15A 0.0941 0.9730 0.5401 0.080
C16 0.1876(6) 0.805(2) 0.4829(7) 0.046(5)
H16A 0.2149 0.6892 0.5482 0.080
_cod_database_code 2005051