Crystallography Open Database

Information card for entry 7154158

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Structure parameters

Formula	C15 H11 Cl2 N5
Calculated formula	C15 H11 Cl2 N5
SMILES	c1(ccccc1n1cc(/C=N/Nc2ccccc2Cl)nn1)Cl
Title of publication	Synthesis and antifungal activity of 1,2,3-triazole phenylhydrazone derivatives.
Authors of publication	Dai, Zhi-Cheng; Chen, Yong-Fei; Zhang, Mao; Li, Sheng-Kun; Yang, Ting-Ting; Shen, Li; Wang, Jian-Xin; Qian, Shao-Song; Zhu, Hai-Liang; Ye, Yong-Hao
Journal of publication	Organic & biomolecular chemistry
Year of publication	2015
Journal volume	13
Journal issue	2
Pages of publication	477 - 486
a	6.5036 ± 0.0006 Å
b	12.9729 ± 0.0011 Å
c	17.9702 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	1516.2 ± 0.2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0811
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7154158.cif
180327	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/41.	7154158.cif
133478	2015-03-06	cif/ Updating files of 7154158 Original log message: Adding full bibliography for 7154158.cif.	7154158.cif
125584	2014-10-21	cif/ Adding structures of 7154158 via cif-deposit CGI script.	7154158.cif