Information card for entry 2206082

Structure parameters

• Chemical name: 2-Amino-4-(2-naphthalyl)thiophene-3-carbonitrile
• Formula: C15 H10 N2 S
• Calculated formula: C15 H10 N2 S
• SMILES: s1c(c(c(c2c3c(cccc3)ccc2)c1)C#N)N
• Title of publication: 2-Amino-4-(2-naphthyl)thiophene-3-carbonitrile
• Authors of publication: Çoruh, Ufuk; Tümer, Ferhan; Vázquez-López, Ezequiel M.; Demir, Ümit
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1680 - o1682
• a: 12.3075 ± 0.0014 Å
• b: 7.4751 ± 0.0009 Å
• c: 13.6676 ± 0.0017 Å
• α: 90°
• β: 94.046 ± 0.003°
• γ: 90°
• Cell volume: 1254.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1969
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 0.716
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes