Information card for entry 2216710

Structure parameters

• Chemical name: N-(2,6-Diisopropylphenyl)-6-[(2,6- diisopropylphenyl)(methacryloyl)aminocarbonyl]pyridine-2-carboximidoyl chloride
• Formula: C35 H42 Cl N3 O2
• Calculated formula: C35 H42 Cl N3 O2
• SMILES: Cl\C(=N/c1c(cccc1C(C)C)C(C)C)c1nc(ccc1)C(=O)N(C(=O)C(=C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: <i>N</i>-(2,6-Diisopropylphenyl)-6-[(2,6-diisopropylphenyl)(methacryloyl)aminocarbonyl]pyridine-2-carboximidoyl chloride
• Authors of publication: Aydın, Aslıhan; Dinçer, Muharrem; Dayan, Osman; Çetinkaya, Bekir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4538 - o4538
• a: 9.4568 ± 0.0003 Å
• b: 14.6356 ± 0.0007 Å
• c: 24.0095 ± 0.0008 Å
• α: 90°
• β: 91.391 ± 0.003°
• γ: 90°
• Cell volume: 3322.1 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes