Crystallography Open Database

Information card for entry 1520179

1520178 << 1520179 >> 1520180

Preview

Coordinates	1520179.cif

Structure parameters

Chemical name	N,N'-bis(4-Chlorophenyl)urea
Formula	C13 H10 Cl2 N2 O
Calculated formula	C13 H10 Cl2 N2 O
SMILES	Clc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
Title of publication	N,N'-bis(4-Chlorophenyl)urea
Authors of publication	Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	682
a	27.097 ± 0.006 Å
b	4.5781 ± 0.0007 Å
c	9.9007 ± 0.0019 Å
α	90°
β	96.281 ± 0.008°
γ	90°
Cell volume	1220.8 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0969
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.1602
Weighted residual factors for all reflections included in the refinement	0.1774
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520179.cif
137626	2015-06-01	cif/ Adding structures of 1520179 via cif-deposit CGI script.	1520179.cif