Information card for entry 2102528

Structure parameters

• Chemical name: 2-(4'-Cyanphenylthio)-5-methylthiadiazole
• Formula: C10 H7 N3 S2
• Calculated formula: C10 H7 N3 S2
• SMILES: c1(nnc(C)s1)Sc1ccc(C#N)cc1
• Title of publication: 30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum
• Authors of publication: Prof. Clemente Dore Augusto; Prof. Marzotto Armando
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: 287 - 292
• a: 5.628 ± 0.001 Å
• b: 7.207 ± 0.002 Å
• c: 13.126 ± 0.002 Å
• α: 90°
• β: 100.12 ± 0.06°
• γ: 90°
• Cell volume: 524.1 ± 0.2 ų
• Cell temperature: 0 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK\α
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No