Crystallography Open Database

Information card for entry 2244144

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Structure parameters

Chemical name	2-hydroxyimino-<i>N</i>-[1-(pyrazin-2-yl)ethylidene]propanohydrazide
Formula	C9 H11 N5 O2
Calculated formula	C9 H11 N5 O2
SMILES	O=C(N/N=C(/c1nccnc1)C)/C(=N/O)C
Title of publication	Crystal structure, Hirshfeld surface analysis and geometry optimization of 2-hydroxyimino-<i>N</i>-[1-(pyrazin-2-yl)ethylidene]propanohydrazide
Authors of publication	Plutenko, Maksym O.; Shishkina, Svitlana V.; Shishkin, Oleg V.; Potaskalov, Vadim A.; Kalibabchuk, Valentina A.
Journal of publication	Acta Crystallographica Section E
Year of publication	2022
Journal volume	78
Journal issue	9
a	24.367 ± 0.002 Å
b	4.3979 ± 0.0005 Å
c	10.1424 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1086.9 ± 0.18 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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