Crystallography Open Database

Information card for entry 8107227

Preview

Coordinates	8107227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 N3 O4
Calculated formula	C15 H15 N3 O4
Title of publication	Crystal structure of (E)-N′-benzylidene-4-nitrobenzohydrazide – methanol (1/1), C15H15N3O4
Authors of publication	Deng, Xin; Zhang, Zhijian
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	5
Pages of publication	825 - 827
a	13.5787 ± 0.0012 Å
b	6.5393 ± 0.0005 Å
c	16.3645 ± 0.0014 Å
α	90°
β	94.598 ± 0.008°
γ	90°
Cell volume	1448.4 ± 0.2 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 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	0.0604
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1037
Weighted residual factors for all reflections included in the refinement	0.1106
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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