Information card for entry 7153371

Structure parameters

• Formula: C24 H30 N4 S
• Calculated formula: C24 H30 N4 S
• SMILES: S=C(N1CCCCC1)N(c1ccccc1)C(=N\c1ccccc1)/N1CCCCC1
• Title of publication: Arylthioureas with bromine or its equivalents gives no 'Hugerschoff' reaction product.
• Authors of publication: Yella, Ramesh; Murru, Siva; Ali, Abdur Rezzak; Patel, Bhisma K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 15
• Pages of publication: 3389 - 3393
• a: 9.5428 ± 0.001 Å
• b: 10.2273 ± 0.0011 Å
• c: 22.766 ± 0.002 Å
• α: 90°
• β: 96.034 ± 0.006°
• γ: 90°
• Cell volume: 2209.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1001
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1946
• Weighted residual factors for all reflections included in the refinement: 0.2551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No