Crystallography Open Database

Information card for entry 1520432

1520431 << 1520432 >> 1520433

Preview

Coordinates	1520432.cif

Structure parameters

Chemical name	N-(3-methylphenyl)acetamide
Formula	C9 H11 N O
Calculated formula	C9 H11 N O
SMILES	c1(cc(ccc1)C)NC(=O)C
Title of publication	N-(3-methylphenyl)acetamide
Authors of publication	Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2009
Pages of publication	1382
a	12.2837 ± 0.0004 Å
b	9.4548 ± 0.0004 Å
c	7.3046 ± 0.0003 Å
α	90°
β	99.932 ± 0.002°
γ	90°
Cell volume	835.64 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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	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.	1520432.cif
138926	2015-06-08	cif/ Adding structures of 1520432 via cif-deposit CGI script.	1520432.cif