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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/73/2107396.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_2107396
loop_
_publ_author_name
'Domiano, P.'
'Pellinghelli, M.A.'
'Tiripicchio, A.'
_publ_section_title
;
 Crystal and molecular structure of carbohydrazide
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2495
_journal_page_last               2498
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'C H6 N4 O'
_chemical_name_systematic        'O C (N H N H2)2'
_space_group_IT_number           14
_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                 109.1
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.728
_cell_length_b                   8.841
_cell_length_c                   12.659
_cell_volume                     394.262
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Domiano_ACBCAR_1972_396.cif
_cod_data_source_block           C1H6N4O1
_cod_original_cell_volume        394.2621
_cod_original_formula_sum        'C1 H6 N4 O1'
_cod_database_code               2107396
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
H6 H+1 1.1846 0.0281 0.3371 1 0.0
O1 O-2 0.6522 0.4132 0.3582 1 0.0
N1 N-2 0.856 0.234 0.4934 1 0.0
H5 H+1 0.8049 -0.0304 0.2916 1 0.0
H3 H+1 0.5396 0.3567 0.5502 1 0.0
N3 N-2 0.8081 0.1817 0.3118 1 0.0
N2 N-2 0.7828 0.3243 0.5765 1 0.0
H2 H+1 0.9163 0.4099 0.5867 1 0.0
H4 H+1 0.792 0.2153 0.2422 1 0.0
N4 N-2 0.9539 0.0347 0.3443 1 0.0
H1 H+1 0.9036 0.1383 0.5077 1 0.0
C1 C+4 0.7665 0.2827 0.3868 1 0.0
