Crystallography Open Database

Information card for entry 2215467

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Structure parameters

Chemical name	4-methoxy-N-[(1E)-(2-nitrophenyl)methylene]benzhydrazide
Formula	C15 H13 N3 O4
Calculated formula	C15 H13 N3 O4
SMILES	O=C(N/N=C/c1c(N(=O)=O)cccc1)c1ccc(OC)cc1
Title of publication	4-Methoxy-<i>N</i>-[(1<i>E</i>)-(2-nitrophenyl)methylene]benzhydrazide
Authors of publication	Jian-Guo Chang; Guo-Fang He; Yan-Fei Li
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	10
Pages of publication	o3997 - o3997
a	27.3272 ± 0.0015 Å
b	4.8389 ± 0.0003 Å
c	21.6639 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2864.7 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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