Information card for entry 7154158

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 ų
• 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 Fobs: No