#------------------------------------------------------------------------------
#$Date: 2012-02-03 17:16:24 +0000 (Fri, 03 Feb 2012) $
#$Revision: 32112 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/02/2000268.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_2000268
loop_
_publ_author_name
'Baggett, N.'
'Case, M. A.'
'Foulon, J.-D.'
'Gray, C. J.'
'Hamor, T. A.'
_publ_section_title
;
 The rearrangement of coumarin-4-acethydrazides. Structure of
 1-amino-4-(2-hydroxy-4-methoxyphenyl)-2,6(1<i>H</i>,3<i>H</i>)-pyridinedione
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1670
_journal_page_last               1672
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C12 H12 N2 O4'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P 1'
_audit_creation_method           'IUCr CIFGEN early version'
_cell_angle_alpha                88.77(7)
_cell_angle_beta                 89.06(2)
_cell_angle_gamma                74.62(6)
_cell_formula_units_Z            2
_cell_length_a                   6.793(2)
_cell_length_b                   7.209(11)
_cell_length_c                   11.405(4)
_cell_volume                     538.4(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_F_000             260
_[local]_cod_data_source_file    mu0215.cif
_[local]_cod_data_source_block   mu0215a
_[local]_cod_cif_authors_sg_H-M  P1
_[local]_cod_chemical_formula_sum_orig C12H12N2O4
_cod_original_cell_volume        538.35
_cod_database_code               2000268
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
N(1) .3605(9) .6665(8) .0818(4) .058
N(2) .4038(4) .6885(4) .2018(2) .086
O(1) .7319(4) .5289(4) .1709(2) .059
O(5) .0730(4) .8428(4) .2322(2) .045
O(7) .1837(4) .9264(4) .6188(2) .049
O(9) .6758(4) .8445(4) .9123(2) .046
C(1) .6005(6) .6119(5) .2394(3) .035
C(2) .6481(6) .6383(6) .3639(3) .032
C(3) .4778(5) .7381(5) .4426(3) .029
C(4) .2892(6) .7995(6) .3955(3) .036
C(5) .2455(6) .7799(5) .2735(3) .032
C(6) .5268(5) .7649(5) .5662(3) .027
C(7) .3816(5) .8585(5) .6510(3) .031
C(8) .4383(6) .8819(6) .7638(3) .035
C(9) .6387(6) .8124(5) .7984(3) .032
C(10) .7858(6) .7174(6) .7185(3) .037
C(11) .7271(5) .6967(5) .6055(3) .034
C(12) .8817(7) .7781(8) .9529(4) .050
H1(HA) .4476 .6873 .0536 ?
H(N1B) .2702 .7046 .0726 ?
H(C2A) .7711 .6989 .3594 ?
H(C2B) .7180 .5073 .3898 ?
H4 .1851 .8517 .4410 ?
H11 .8337 .6317 .5503 ?
H10 .9257 .6730 .7392 ?
H8 .3344 .9554 .8115 ?
H7 .1254 .9878 .6805 ?
H(MEA) .9322 .6357 -.0622 ?
H(MEB) .8662 .7999 .0393 ?
H(MEC) .9732 .8352 -.0909 ?