Crystallography Open Database

Information card for entry 2219837

2219836 << 2219837 >> 2219838

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Structure parameters

Chemical name	<i>N</i>'-(But-2-enylidene)isonicotinohydrazide
Formula	C10 H11 N3 O
Calculated formula	C10 H11 N3 O
SMILES	N(NC(=O)c1ccncc1)=CC=CC
Title of publication	<i>N</i>'-(But-2-enylidene)isonicotinohydrazide
Authors of publication	Yin, Zhi-Gang; Li, Shu-Mian; Qian, Heng-Yu; Chen, Yu-Zhen
Journal of publication	Acta Crystallographica Section E
Year of publication	2008
Journal volume	64
Journal issue	11
Pages of publication	o2150
a	9.5779 ± 0.0008 Å
b	12.6191 ± 0.0011 Å
c	9.2095 ± 0.0008 Å
α	90°
β	113.511 ± 0.001°
γ	90°
Cell volume	1020.7 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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