Information card for entry 2101042

Structure parameters

• Formula: C14 H12 N2 S2
• Calculated formula: C14 H12 N2 S2
• SMILES: CSC(=CC(=C(C#N)C#N)c1ccccc1)SC
• Title of publication: Structural studies of `push–pull' butadienes
• Authors of publication: Dastidar, P.; Guru Row, T. N.; Venkatesan, K.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 900 - 905
• a: 8.833 ± 0.001 Å
• b: 9.419 ± 0.002 Å
• c: 9.52 ± 0.001 Å
• α: 106.77 ± 0.01°
• β: 93.14 ± 0.01°
• γ: 109.61 ± 0.01°
• Cell volume: 704.2 ± 0.2 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No