Crystallography Open Database

Information card for entry 2239400

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Structure parameters

Chemical name	2,2-Dimethyl-<i>N</i>-(4-methylpyridin-2-yl)propanamide
Formula	C11 H16 N2 O
Calculated formula	C11 H16 N2 O
SMILES	Cc1ccnc(c1)NC(=O)C(C)(C)C
Title of publication	2,2-Dimethyl-<i>N</i>-(4-methylpyridin-2-yl)propanamide
Authors of publication	El-Hiti, Gamal A.; Smith, Keith; Balakit, Asim A.; Hegazy, Amany S.; Kariuki, Benson M.
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	3
Pages of publication	o351 - o352
a	10.7954 ± 0.0003 Å
b	10.1809 ± 0.0002 Å
c	20.839 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2290.35 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1445
Weighted residual factors for all reflections included in the refinement	0.1539
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181894 (current)	2016-04-06	hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94.	2239400.cif 2239400.hkl
181313	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/94.	2239400.cif 2239400.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2239400.cif 2239400.hkl
110683	2014-04-19	cif/ hkl/ Adding structures of 2239400 via cif-deposit CGI script.	2239400.cif 2239400.hkl