Information card for entry 2017302

Structure parameters

• Chemical name: 4,4'-(2-thienylmethylene)bis(6-allyl-3-chloro-2-methylaniline)
• Formula: C25 H26 Cl2 N2 S
• Calculated formula: C25 H26 Cl2 N2 S
• SMILES: C=CCc1cc(C(c2cc(CC=C)c(c(c2Cl)C)N)c2cccs2)c(c(c1N)C)Cl
• Title of publication: Sterically shielded pyramidal amino groups in two 4,4'-(arylmethylene)bis(6-allyl-3-chloro-2-methylaniline) derivatives
• Authors of publication: Blanco, Maria C.; Palma, Alirio; Bahsas, Ali; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o479 - o482
• a: 8.7263 ± 0.0002 Å
• b: 10.6766 ± 0.0002 Å
• c: 12.2691 ± 0.0003 Å
• α: 77.11 ± 0.001°
• β: 87.793 ± 0.001°
• γ: 82.367 ± 0.002°
• Cell volume: 1104.35 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0493
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes