Crystallography Open Database

Information card for entry 7217018

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Structure parameters

Formula	C18 H17 Cl2 N O4
Calculated formula	C18 H17 Cl2 N O4
SMILES	Clc1c(Cl)cc(C(=N\O)/C=C/c2cc(OC)c(OC)cc2OC)cc1
Title of publication	Synthesis, Biological Evaluation, and Molecular Docking Studies of Novel Chalcone Oxime Derivatives as Potential Tubulin Polymerization Inhibitors
Authors of publication	Zhu, Hai-Liang; Qi, Jin-Liang; Jiang, Aiqin; Wang, YanTing; Qin, Yajuan; Zhang, YaLiang; Li, YuJing; Rao, Bing; Zhang, YanQing; Yang, MengRu
Journal of publication	RSC Advances
Year of publication	2014
a	5.7733 ± 0.0009 Å
b	12.2808 ± 0.0019 Å
c	12.979 ± 0.002 Å
α	90.46 ± 0.004°
β	94.633 ± 0.004°
γ	102.396 ± 0.004°
Cell volume	895.5 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1765
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.1122
Weighted residual factors for all reflections included in the refinement	0.1409
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7217018.cif
180501	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/70.	7217018.cif
118976	2014-07-04	cif/ Adding structures of 7217018, 7217019, 7217020 via cif-deposit CGI script.	7217018.cif