Crystallography Open Database

Information card for entry 1520242

1520241 << 1520242 >> 1520243

Preview

Coordinates	1520242.cif

Structure parameters

Chemical name	N-(4-chlorophenyl)acetamide
Formula	C8 H8 Cl N O
Calculated formula	C8 H8 Cl N O
SMILES	Clc1ccc(NC(=O)C)cc1
Title of publication	N-(4-chlorophenyl)acetamide
Authors of publication	Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	1387
a	9.6978 ± 0.0004 Å
b	12.3874 ± 0.0004 Å
c	6.5757 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	789.94 ± 0.05 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0407
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	1520242.cif
137861	2015-06-04	cif/ Adding structures of 1520242 via cif-deposit CGI script.	1520242.cif