Information card for entry 2101044

Structure parameters

• Formula: C15 H15 N3 S
• Calculated formula: C15 H15 N3 S
• SMILES: N#CC(=C(c1ccccc1)/C=C(\N(C)C)SC)C#N
• 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: 9.951 ± 0.001 Å
• b: 10.04 ± 0.001 Å
• c: 14.764 ± 0.002 Å
• α: 90°
• β: 98.67 ± 0.01°
• γ: 90°
• Cell volume: 1458.2 ± 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: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No