Information card for entry 2243878

Structure parameters

• Chemical name: (2<i>Z</i>)-<i>N</i>,<i>N</i>-Dimethyl-2-(pentafluorophenyl)-2-(2-phenylhydrazin-1-ylidene)acetamide
• Formula: C16 H12 F5 N3 O
• Calculated formula: C16 H12 F5 N3 O
• SMILES: c1(c(c(c(c(c1/C(=N/Nc1ccccc1)C(=O)N(C)C)F)F)F)F)F
• Title of publication: Crystal structure and Hirshfeld surface analysis of (2<i>Z</i>)-<i>N</i>,<i>N</i>-dimethyl-2-(pentafluorophenyl)-2-(2-phenylhydrazin-1-ylidene)acetamide
• Authors of publication: Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Niyazova, Aytan A.; Mlowe, Sixberth
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 8
• Pages of publication: 829 - 833
• a: 19.0048 ± 0.0006 Å
• b: 11.5216 ± 0.0004 Å
• c: 17.2227 ± 0.0006 Å
• α: 90°
• β: 116.526 ± 0.001°
• γ: 90°
• Cell volume: 3374.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes