Crystallography Open Database

Information card for entry 8104939

Preview

Coordinates	8104939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 N4 O3
Calculated formula	C14 H16 N4 O3
Title of publication	The crystal structure of 4-amino-N′-(4-aminobenzoyl)benzohydrazide monohydrate, C14H16N4O3
Authors of publication	Xi-Shi, Tai; Xiao-Jing, Zhou; Li-Li, Liu; Ai-Ling, Zhang; Li-Hua, Wang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	1
Pages of publication	259 - 260
a	8.0968 ± 0.0007 Å
b	16.6829 ± 0.0017 Å
c	5.3097 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	717.22 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0816
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	No

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