Information card for entry 2001876

Structure parameters

• Formula: C14 H10 N4 O
• Calculated formula: C14 H10 N4 O
• SMILES: o1c(ccc1C1C(=C(C)NC(=C1C#N)C)C#N)C#N
• Title of publication: Structure of 4-(5-cyano-2-furyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
• Authors of publication: Kožíšek, J.; Paulus, H.; Marchalín, Š.; Ilavský, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 526 - 528
• a: 13.293 ± 0.003 Å
• b: 8.099 ± 0.002 Å
• c: 13.815 ± 0.003 Å
• α: 90°
• β: 120.474 ± 0.005°
• γ: 90°
• Cell volume: 1281.9 ± 0.5 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No