Crystallography Open Database

Information card for entry 2011375

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Structure parameters

Formula	C4 H8 N2 O2
Calculated formula	C4 H8 N2 O2
SMILES	CC(C(=O)N)C(=O)N
Title of publication	Methylmalonamide and ethylmalonamide
Authors of publication	Sakamoto, Jun; Nakagawa, Takashi; Kanehisa, Nobuko; Kai, Yasushi; Katsura, Masahiro
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	9
Pages of publication	e411 - e412
a	9.778 ± 0.002 Å
b	10.879 ± 0.002 Å
c	5.706 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	607 ± 0.3 Å³
Cell temperature	296.2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	1.152
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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