Information card for entry 2000709

Structure parameters

• Formula: C22 H17 N3 S3
• Calculated formula: C22 H17 N3 S3
• SMILES: S=C(c1c(ss/c1=N\c1ccccc1)Nc1ccccc1)Nc1ccccc1
• Title of publication: The structure of a trisubstituted 3<i>H</i>-1,2-dithiole
• Authors of publication: Husebye, S.; Maartmann-Moe, K.; Mikalsen, Ø.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 1521 - 1523
• a: 12.8198 ± 0.0009 Å
• b: 6.9843 ± 0.0008 Å
• c: 23.0717 ± 0.0013 Å
• α: 90°
• β: 102.981 ± 0.005°
• γ: 90°
• Cell volume: 2013 ± 0.3 ų
• 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
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No