Information card for entry 2214389

Structure parameters

• Common name: 7-Azathieno[3,2-c]cinnoline
• Chemical name: pyrido[4,3-e]thieno[3,2-c]pyridazine
• Formula: C9 H5 N3 S
• Calculated formula: C9 H5 N3 S
• SMILES: s1c2c3c(nnc2cc1)cncc3
• Title of publication: 7-Azathieno[3,2-<i>c</i>]cinnoline
• Authors of publication: Hansen, Lars Kr.; Stockmann, Vegar; Fiksdahl, Anne
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3290 - o3290
• a: 13.0233 ± 0.0013 Å
• b: 15.969 ± 0.003 Å
• c: 3.869 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 804.6 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes