Information card for entry 2243089

Structure parameters

• Chemical name: 2-{(1<i>E</i>)-[(<i>E</i>)-2-(2,6-Dichlorobenzylidene)hydrazin-1-\ ylidene]methyl}phenol
• Formula: C14 H10 Cl2 N2 O
• Calculated formula: C14 H10 Cl2 N2 O
• SMILES: Clc1c(/C=N/N=C/c2c(O)cccc2)c(Cl)ccc1
• Title of publication: 2-{(1<i>E</i>)-[(<i>E</i>)-2-(2,6-Dichlorobenzylidene)hydrazin-1-ylidene]methyl}phenol: crystal structure, Hirshfeld surface analysis and computational study
• Authors of publication: Manawar, Rohit B.; Gondaliya, Mitesh B.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 10
• Pages of publication: 1423 - 1428
• a: 8.5614 ± 0.0008 Å
• b: 15.6055 ± 0.0012 Å
• c: 10.0527 ± 0.0009 Å
• α: 90°
• β: 95.031 ± 0.003°
• γ: 90°
• Cell volume: 1337.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes