Crystallography Open Database

Information card for entry 7227095

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Structure parameters

Formula	C17 H16 Cl N3 O3
Calculated formula	C17 H16 Cl N3 O3
SMILES	[Cl-].[nH+]1c2c(ccc1/C=N/NC(=O)c1ccc(O)cc1)cccc2.O
Title of publication	Synthesis and biological evaluation of heterocyclic hydrazone transition metal complexes as potential anticancer agents
Authors of publication	jungang, deng; Yunpeng, Du; Wei, Chen; Xiang, Fu; Hang, Deng
Journal of publication	RSC Adv.
Year of publication	2016
a	7.2591 ± 0.0003 Å
b	18.757 ± 0.001 Å
c	12.209 ± 0.0005 Å
α	90°
β	103.578 ± 0.004°
γ	90°
Cell volume	1615.9 ± 0.13 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
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	0.0867
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.1135
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7227095.cif
188406	2016-11-12	cif/ Adding structures of 7227095, 7227096 via cif-deposit CGI script.	7227095.cif