Crystallography Open Database

Information card for entry 7059809

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Structure parameters

Chemical name	3-[(E)-[(1-hydroxyphenyl-2-yl)methylidene]amino]-1-[(E)-[(pyridin-4-yl)methylidene]amino]urea
Formula	C14 H13 N5 O2
Calculated formula	C14 H13 N5 O2
SMILES	O=C(N/N=C/c1c(O)cccc1)N/N=C/c1ccncc1
Title of publication	Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides
Authors of publication	Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	31
Pages of publication	13357 - 13367
a	7.7355 ± 0.0005 Å
b	9.1187 ± 0.0005 Å
c	9.7039 ± 0.0005 Å
α	93.758 ± 0.005°
β	93.79 ± 0.005°
γ	92.877 ± 0.005°
Cell volume	680.5 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1506
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.1273
Weighted residual factors for all reflections included in the refinement	0.1634
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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