#------------------------------------------------------------------------------
#$Date: 2025-08-19 00:52:38 +0200 (Tue 19 de Aug de 2025) $
#$Revision: 301791 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/20/2002038.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_2002038
loop_
_publ_author_name
'Katrusiak, A.'
_publ_section_title
;
 A new polymorph of maleic hydrazide
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              36
_journal_page_last               39
_journal_paper_doi               10.1107/S0108270192004918
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C4 H4 N2 O2'
_chemical_formula_weight         112.09
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.07(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.891(2)
_cell_length_b                   9.674(2)
_cell_length_c                   6.9460(10)
_cell_volume                     455.91(18)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    1.031
_exptl_crystal_density_diffrn    1.630(10)
_exptl_crystal_F_000             232
_cod_data_source_file            hu0409.cif
_cod_data_source_block           hu0409_structure_1_of_1
_cod_original_cell_volume        455.9(2)
_cod_database_code               2002038
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
N(1) .7376(2) .11040(10) .1054(2) .045
N(2) .9292(2) .14850(10) .1129(2) .043
C(3) .9621(2) .28040(10) .1295(2) .037
O(3) 1.1468(2) .32580(10) .1384(2) .053
C(4) .8131(2) .37950(10) .1390(3) .046
C(5) .6261(2) .33640(10) .1309(2) .042
C(6) .5824(2) .19150(10) .1121(2) .037
O(6) .4129(2) .14060(10) .1039(2) .054
H(1) .717(4) .028(4) .083(4) .070(10)
H(3) 1.236(5) .244(5) .132(5) .13(2)
H(4) .844(4) .472(3) .149(4) .070(10)
H(5) .520(3) .398(3) .135(3) .060(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
N(1) N(2) 1.3630(10)
N(1) C(6) 1.3340(10)
N(2) C(3) 1.2980(10)
C(3) O(3) 1.338(2)
C(3) C(4) 1.415(2)
C(4) C(5) 1.346(2)
C(5) C(6) 1.435(2)
C(6) O(6) 1.260(2)
N(1) H(1) 0.82(4)
O(3) H(3) 1.00(4)
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 21954
