Crystallography Open Database

Information card for entry 2234419

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Structure parameters

Chemical name	2-Cyano-2-methylpropanamide
Formula	C5 H8 N2 O
Calculated formula	C5 H8 N2 O
SMILES	O=C(N)C(C#N)(C)C
Title of publication	2-Cyano-2-methylpropanamide
Authors of publication	Xu, Jia-Ying; Cheng, Wei-Hua
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	4
Pages of publication	o1250
a	5.8916 ± 0.0012 Å
b	6.4349 ± 0.0014 Å
c	9.1263 ± 0.0019 Å
α	95.659 ± 0.004°
β	102.379 ± 0.004°
γ	109.859 ± 0.004°
Cell volume	312.27 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1396
Weighted residual factors for all reflections included in the refinement	0.143
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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