Information card for entry 7100647

Structure parameters

• Formula: C12 H13 N O3
• Calculated formula: C12 H13 N O3
• SMILES: O=N(=O)/C(=C/c1ccccc1)CCC(=O)C
• Title of publication: The Morita-Baylis-Hillman adducts of conjugated nitroalkenes with other activated alkenes: synthesis and anticancer activity studies
• Authors of publication: Irishi N. N. Namboothiri; Mamta Dadwal; Renu Mohan; Dulal Panda; Shaik M. Mobin
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 7.253 ± 0.001 Å
• b: 7.981 ± 0.0007 Å
• c: 10.705 ± 0.0009 Å
• α: 106.198 ± 0.007°
• β: 104.883 ± 0.009°
• γ: 97.193 ± 0.009°
• Cell volume: 562.02 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No