Crystallography Open Database

Information card for entry 2239851

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Structure parameters

Chemical name	2-Cyano-<i>N</i>'-(cyclohexylidene)acetohydrazide
Formula	C9 H13 N3 O
Calculated formula	C9 H13 N3 O
SMILES	C1(=NNC(=O)CC#N)CCCCC1
Title of publication	Crystal structure of 2-cyano-<i>N</i>'-(cyclohexylidene)acetohydrazide
Authors of publication	Harrison, William T. A.; Al-Sakka, Ola K.; Fleita, Daisy H.; Saleh, Amina; Salem, Sara
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	9
Pages of publication	o886
a	4.842 ± 0.0002 Å
b	9.7407 ± 0.0007 Å
c	10.7071 ± 0.0008 Å
α	73.917 ± 0.009°
β	82.819 ± 0.01°
γ	75.98 ± 0.009°
Cell volume	469.87 ± 0.06 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 ± 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	0.0429
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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