Information card for entry 8107294

Structure parameters

• Formula: C16 H14 Cl2 N2 O2
• Calculated formula: C16 H14 Cl2 N2 O2
• SMILES: c1(c(cccc1)Cl)C(=O)N/N=C(CC)/c1c(ccc(c1)Cl)O
• Title of publication: Crystal structure of E-2-chloro-N′-(1-(5-chloro-2-hydroxyphenyl)propylidene)benzohydrazide, C16H14Cl2N2O2
• Authors of publication: Zhu, Nina; Zhao, Jimin; Zhang, Lihui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 1065 - 1066
• a: 8.9215 ± 0.0015 Å
• b: 10.0013 ± 0.0015 Å
• c: 10.5713 ± 0.0015 Å
• α: 62.517 ± 0.002°
• β: 75.325 ± 0.002°
• γ: 68.993 ± 0.001°
• Cell volume: 776.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0487
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No