Information card for entry 2238441

Structure parameters

• Chemical name: Thiophene-2-carbonyl azide
• Formula: C5 H3 N3 O S
• Calculated formula: C5 H3 N3 O S
• SMILES: c1(cccs1)C(=O)N=N#N
• Title of publication: Thiophene-2-carbonyl azide
• Authors of publication: Hsu, Gene C.; Singer, Laci M.; Cordes, David B.; Findlater, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1298
• a: 12.668 ± 0.003 Å
• b: 6.2153 ± 0.0012 Å
• c: 16.4 ± 0.003 Å
• α: 90°
• β: 95.91 ± 0.03°
• γ: 90°
• Cell volume: 1284.4 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes