#
# Saulius Gra\<zulis
#

data_ethylnitramine


_journal_name_full      Nature
_journal_volume         160
_journal_page_first     826
_journal_year           1947



_chemical_formula_sum   'C2 H6 N2 O2'
_chemical_name_systematic
;Ethylnitramine
;
_cell_length_a          6.13
_cell_length_b          6.48
_cell_length_c          6.08
_cell_angle_alpha       90
_cell_angle_beta        114.55
_cell_angle_gamma       90



_symmetry_space_group_name_H-M  'P 21 /m'
_symmetry_Int_Tables_number     11
_cell_formula_units_Z           2

#
#'Kitaigorodsky' gives alternative symmetry space 
#group name H-M  - 'P 21'(_symmetry_Int_Tables_number
# 4).

#
#'Kitaigorodsky' doesn't give co-ordinates.
#
#loop_
#_atom_site_label
#_atom_site_type_symbol
#_atom_site_symmetry_multiplicity
#_atom_site_Wyckoff_symbol
#_atom_site_fract_x
#_atom_site_fract_y
#_atom_site_fract_z
 
_[local]_cod_depositor_comments
;
Kitajgorodskij [1] does not give atom coordinates.

Kitajgorodskij [1] suggests in a footnote that the choice of the
spacegroup is not well justified, and that another possibility --
symmetry space group name H-M - 'P 21'(_symmetry_Int_Tables_number 4)
-- exists.

Saulius Gra\<zulis
2009.04.25
;

loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?

loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
O	N	1.25(5)
N	N	1.26(5)
N	C	1.46(5)


loop_
_citation_id
_citation_coordinate_linkage
_citation_title
_citation_book_title
_citation_country
_citation_page_first
_citation_page_last
_citation_year
_citation_book_publisher
_citation_special_details
1 yes
?
'Organicheskaja Kristallokhimija'
USSR
?
?
1955
'Izdatel'stvo Akademii Nauk SSSR'
;

Coordinates are presented as published in this book, Kitajgorodskij's
"Organicheskaja Kristallokhimija", keyed in manually.

Saulius Gra\<zulis
;

loop_
_citation_author_citation_id
_citation_author_name
1 'A. I. Kitajgorodskij'
