Information card for entry 2242975

Structure parameters

• Chemical name: 2-Chloro-3-[(<i>E</i>)-(2-phenylhydrazinylidene)methyl]quinoline
• Formula: C16 H12 Cl N3
• Calculated formula: C16 H12 Cl N3
• SMILES: Clc1nc2c(cc1/C=N/Nc1ccccc1)cccc2
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of 2-chloro-3-[(<i>E</i>)-(2-phenylhydrazinylidene)methyl]quinoline
• Authors of publication: Akhramez, Soufiane; Hafid, Abderrafia; Khouili, Mostafa; Saadi, Mohamed; El Ammari, Lahcen; Ketatni, El Mostafa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 7
• Pages of publication: 964 - 968
• a: 6.2114 ± 0.0004 Å
• b: 19.4553 ± 0.0011 Å
• c: 11.252 ± 0.0007 Å
• α: 90°
• β: 91.883 ± 0.002°
• γ: 90°
• Cell volume: 1359.01 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes