Crystallography Open Database

Information card for entry 2311813

Preview

Coordinates	2311813.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1-Benzoyl-2-(propan-2-ylidene)hydrazone
Formula	C10 H12 N2 O
Calculated formula	C10 H12 N2 O
SMILES	O=C(NN=C(C)C)c1ccccc1
Title of publication	Structural similarities among eight benzoylhydrazones.
Authors of publication	Ton, Quoc Cuong; Bolte, Michael; Egert, Ernst
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2014
Journal volume	70
Journal issue	Pt 9
Pages of publication	912 - 919
a	7.695 ± 0.0008 Å
b	17.129 ± 0.001 Å
c	7.8316 ± 0.0008 Å
α	90°
β	115.525 ± 0.008°
γ	90°
Cell volume	931.51 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	0.939
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
246126 (current)	2019-12-26	cif/ Adding structures of 2311813, 2311814, 2311815, 2311816, 2311817, 2311818, 2311819, 2311820 via cif-deposit CGI script.	2311813.cif