Crystallography Open Database

Information card for entry 2206984

2206983 << 2206984 >> 2206985

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2206984.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	2'-(4-Methoxybenzylidene)isonicotinohydrazide monohydrate
Formula	C14 H15 N3 O3
Calculated formula	C14 H15 N3 O3
SMILES	O=C(NN=Cc1ccc(OC)cc1)c1ccncc1.O
Title of publication	2'-(4-Methoxybenzylidene)isonicotinohydrazide monohydrate
Authors of publication	Zuo-Liang Jing; Zhi Fan; Ming Yu; Xin Chen; Qi-Liang Deng
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	10
Pages of publication	o3208 - o3209
a	7.366 ± 0.0015 Å
b	12.422 ± 0.003 Å
c	14.785 ± 0.003 Å
α	90°
β	96.699 ± 0.002°
γ	90°
Cell volume	1343.6 ± 0.5 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.0438
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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