Crystallography Open Database

Information card for entry 2021669

2021668 << 2021669 >> 2021670

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Structure parameters

Chemical name	Bis{6-methyl-<i>N</i>'-[1-(pyrazin-2-yl-κ<i>N</i>^1^)ethylidene]nicotinohydrazidato-κ^2^<i>N</i>',<i>O</i>}nickel(II)
Formula	C26 H24 N10 Ni O2
Calculated formula	C26 H24 N10 Ni O2
SMILES	[Ni]1234(OC(=N[N]2=C(c2[n]1ccnc2)C)c1ccc(nc1)C)OC(=N[N]4=C(c1[n]3ccnc1)C)c1ccc(nc1)C
Title of publication	Synthesis, structure and bioactivity of Ni^2+^ and Cu^2+^ acylhydrazone complexes
Authors of publication	Xie, Long-Yan; Zhang, Yu; Xu, Hao; Gong, Chang-Da; Du, Xiu-Li; Li, Yang; Wang, Meng; Qin, Jie
Journal of publication	Acta Crystallographica Section C
Year of publication	2019
Journal volume	75
Journal issue	7
a	11.9385 ± 0.0006 Å
b	9.7023 ± 0.0004 Å
c	22.5975 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2617.5 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0654
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301801 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure.	2021669.cif 2021669.hkl
216001	2019-06-15	cif/ hkl/ Adding structures of 2021668, 2021669 via cif-deposit CGI script.	2021669.cif 2021669.hkl