Information card for entry 7220085

Structure parameters

• Common name: 2-amino-8a-methoxy-6,7,8,8a-tetrahydro-4H-chromene-3,4,4(4aH,5H)-tricarbonitrile
• Chemical name: 2-amino-8a-methoxy-6,7,8,8a-tetrahydro-4H-chromene-3,4,4(4aH,5H)-tricarbonitrile
• Formula: C12 H13 N3 O2
• Calculated formula: C12 H13 N3 O2
• SMILES: O1C(=C(C(=C2CCCCC12OC)C#N)C#N)N
• Title of publication: Domino-Synthesis and Fluorescent Properties of 4-cyano-2-oxo-1,2-dihydropyridine-3-carboxamides and 2-oxo-1,2-dihydropyridine-3,4-dicarbonitriles
• Authors of publication: Ershov, Oleg V.; Fedoseev, Sergey V.; Belikov, Mikhail Yu; Ievlev, Mikhail Yu
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.1414 ± 0.0006 Å
• b: 8.9768 ± 0.0007 Å
• c: 8.9788 ± 0.0007 Å
• α: 75.259 ± 0.001°
• β: 87.305 ± 0.001°
• γ: 65.104 ± 0.001°
• Cell volume: 574.28 ± 0.08 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.039
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No