#------------------------------------------------------------------------------
#$Date: 2011-01-02 20:00:31 +0000 (Sun, 02 Jan 2011) $
#$Revision: 5310 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005520.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_2005520
_publ_section_title
;
A reinvestigation of the Quinoidal Effect in
N-n-Propyl-2-oxo-1-naphthylidenemethylamine.
;
_journal_name_full               'Acta Crystallographica C'
_journal_page_first              2573
_journal_page_last               2575
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         'C14 H15 N O'
_chemical_formula_sum            'C14 H15 N O'
_chemical_formula_weight         213.28
_space_group_IT_number           14
_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                90.0
_cell_angle_beta                 96.327(6)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   10.1646(7)
_cell_length_b                   8.8048(6)
_cell_length_c                   13.157(1)
_cell_measurement_temperature    295
_cell_volume                     1170.3(1)
_exptl_crystal_density_diffrn    1.210
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2005520
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
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
O 0.3468(2) 0.1387(2) 0.6558(1) 0.069(1)
N 0.5766(2) 0.0274(2) 0.7168(1) 0.058(1)
C1 0.3851(2) -0.0177(2) 0.8035(1) 0.048(1)
C2 0.3021(2) 0.0675(2) 0.7294(2) 0.055(1)
C3 0.1626(2) 0.0717(3) 0.7401(2) 0.066(1)
C4 0.1119(2) 0.0020(3) 0.8178(2) 0.067(1)
C5 0.4068(2) -0.1694(2) 0.9677(1) 0.055(1)
C6 0.3500(2) -0.2353(3) 1.0465(2) 0.066(1)
C7 0.2149(2) -0.2264(3) 1.0524(2) 0.075(2)
C8 0.1375(2) -0.1490(3) 0.9782(2) 0.072(1)
C9 0.3306(2) -0.0899(2) 0.8892(1) 0.049(1)
C10 0.1922(2) -0.0796(2) 0.8952(2) 0.056(1)
C11 0.5198(2) -0.0339(2) 0.7908(1) 0.050(1)
C12 0.7120(2) 0.0001(3) 0.6962(2) 0.061(1)
C13 0.7186(2) -0.0956(3) 0.6015(2) 0.061(1)
C14 0.8581(2) -0.1106(3) 0.5731(2) 0.082(2)
H3 0.1049 0.1252 0.6908 0.0760
H4 0.0191 0.0073 0.8214 0.0774
H5 0.4998 -0.1775 0.9661 0.0658
H6 0.4043 -0.2883 1.0981 0.0769
H7 0.1767 -0.2734 1.1072 0.0866
H8 0.0450 -0.1415 0.9824 0.0835
H11 0.5731 -0.0937 0.8394 0.0600
H12A 0.7536 0.0949 0.6868 0.0717
H12B 0.7577 -0.0511 0.7530 0.0717
H13A 0.6854 -0.1940 0.6137 0.0719
H13B 0.6650 -0.0497 0.5462 0.0719
H14C 0.8575 -0.1714 0.5134 0.0937
H14A 0.8920 -0.0127 0.5602 0.0937
H14B 0.9125 -0.1570 0.6277 0.0937
H1N 0.5291 0.0716 0.6771 0.0696