Crystallography Open Database

Information card for entry 1520430

1520429 << 1520430 >> 1520431

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Coordinates	1520430.cif

Structure parameters

Chemical name	N-(2-methylphenyl)acetamide
Formula	C9 H11 N O
Calculated formula	C9 H11 N O
SMILES	c1(c(cccc1)C)NC(=O)C
Title of publication	N-(2-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	1367
a	11.1083 ± 0.0006 Å
b	4.8283 ± 0.0003 Å
c	15.2681 ± 0.0007 Å
α	90°
β	99.17 ± 0.003°
γ	90°
Cell volume	808.43 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0587
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1322
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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.	1520430.cif
138924	2015-06-08	cif/ Adding structures of 1520430 via cif-deposit CGI script.	1520430.cif