Crystallography Open Database

Information card for entry 2011376

2011375 << 2011376 >> 2011377

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Structure parameters

Formula	C5 H10 N2 O2
Calculated formula	C5 H10 N2 O2
SMILES	O=C(N)C(CC)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	6.57 ± 0.001 Å
b	9.502 ± 0.001 Å
c	11.032 ± 0.001 Å
α	90°
β	96.69 ± 0.01°
γ	90°
Cell volume	684.02 ± 0.14 Å³
Cell temperature	296.2 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 significantly intense reflections	0.0509
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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