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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2005599.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_2005599
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume 	C52
_journal_page_first 	2878
_journal_page_last 	2880
_publ_section_title 	
;
2-(p-Diethylaminobenzylidene)-1,3-indandione
;
_chemical_formula_moiety 	'C20 H19 N O2'
_chemical_formula_sum 	'C20 H19 N O2'
_chemical_formula_weight 	305.36
_symmetry_cell_setting 	monoclinic
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x+1/2, y+1/2, -z+1/2'
 'x, -y, -z'
 'x-1/2, -y-1/2, z-1/2'
_symmetry_space_group_name_H-M 	'P 21/n'
_cell_length_a 	7.611(3)
_cell_length_b 	20.972(10)
_cell_length_c 	10.312(4)
_cell_angle_alpha 	90.00
_cell_angle_beta 	99.93
_cell_angle_gamma 	90.00
_cell_volume 	1621.3(12)
_cell_formula_units_Z 	4
_exptl_crystal_density_diffrn 	1.251
_cell_measurement_temperature 	293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 O1 1 0.1686(4) 0.4272(2) 0.3401(3) 0.0722(10)
 O2 1 -0.2787(5) 0.5802(2) 0.2002(3) 0.0788(11)
 N 1 -0.2742(6) 0.2747(3) 0.7372(5) 0.097(2)
 C1 1 0.1397(6) 0.5142(2) 0.1881(4) 0.0495(11)
 C2 1 0.0103(6) 0.5585(2) 0.1437(4) 0.0515(11)
 C3 1 0.0334(7) 0.6033(2) 0.0495(5) 0.0630(13)
 H3 1 -0.0498(7) 0.6349(2) 0.0277(5) 0.068
 C4 1 0.1912(7) 0.6021(2) 0.0009(5) 0.0685(14)
 H4 1 0.1987(7) 0.6341(2) -0.0611(5) 0.104
 C5 1 0.3213(7) 0.5585(3) 0.0462(5) 0.0692(14)
 H5 1 0.4164(7) 0.5596(3) 0.0044(5) 0.103
 C6 1 0.2985(6) 0.5135(2) 0.1405(5) 0.0631(13)
 H6 1 0.3827(6) 0.4812(2) 0.1733(5) 0.057
 C7 1 0.0787(6) 0.4713(2) 0.2864(4) 0.0496(11)
 C8 1 -0.1424(6) 0.5481(2) 0.2133(4) 0.0541(12)
 C9 1 -0.0990(6) 0.4923(2) 0.3011(4) 0.0468(11)
 C10 1 -0.2227(6) 0.4710(2) 0.3708(4) 0.0538(12)
 H10 1 -0.3240(6) 0.4923(2) 0.3627(4) 0.058
 C11 1 -0.2290(6) 0.4196(2) 0.4634(4) 0.0511(11)
 C12 1 -0.3894(6) 0.4089(2) 0.5091(5) 0.0622(13)
 H12 1 -0.4902(6) 0.4369(2) 0.4818(5) 0.067
 C13 1 -0.4059(7) 0.3612(2) 0.5979(5) 0.0694(14)
 H13 1 -0.5279(7) 0.3595(2) 0.6274(5) 0.080
 C14 1 -0.2622(7) 0.3216(2) 0.6478(5) 0.0672(14)
 C15 1 -0.1012(6) 0.3323(2) 0.6033(4) 0.0601(12)
 H15 1 -0.0022(6) 0.3037(2) 0.6351(4) 0.067
 C16 1 -0.0867(6) 0.3796(2) 0.5136(4) 0.0576(12)
 H16 1 0.0333(6) 0.3852(2) 0.4861(4) 0.047
 C17 1 -0.4268(9) 0.2756(3) 0.8127(7) 0.159(4)
 H17A 1 -0.4776(9) 0.3175(3) 0.8126(7) 0.095
 H17B 1 -0.3944(9) 0.2605(3) 0.9015(7) 0.080
 C18 1 -0.5598(14) 0.2338(3) 0.7340(8) 0.184(5)
 H18A 1 -0.6691(14) 0.2292(3) 0.7677(8) 0.080
 H18B 1 -0.5852(14) 0.2499(3) 0.6457(8) 0.080
 H18C 1 -0.5021(14) 0.1931(3) 0.7343(8) 0.080
 C19 1 -0.1236(8) 0.2322(3) 0.7885(6) 0.091(2)
 H19A 1 -0.0214(8) 0.2604(3) 0.8207(6) 0.090
 H19B 1 -0.1587(8) 0.2097(3) 0.8615(6) 0.131
 C20 1 -0.0910(10) 0.1818(3) 0.6961(7) 0.110(2)
 H20A 1 0.0112(10) 0.1572(3) 0.7345(7) 0.080
 H20B 1 -0.1934(10) 0.1544(3) 0.6776(7) 0.080
 H20C 1 -0.0694(10) 0.2009(3) 0.6158(7) 0.080