Information card for entry 7224752

Structure parameters

• Chemical name: 2-amino-6,6,8,8-tetrahydro-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-4H-chromene-3-carbonitrile
• Formula: C18 H17 N3 O4
• Calculated formula: C18 H17 N3 O4
• SMILES: C1(=O)CC(CC2=C1C(C(=C(O2)N)C#N)c1cccc(c1)N(=O)=O)(C)C
• Title of publication: One-pot synthesis of various 2-amino-4H-chromene derivatives using a highly active supported ionic liquid catalyst
• Authors of publication: Sharma, Pankaj; Gupta, Monika; Kant, Rajni; Gupta, Vivek K.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 38
• Pages of publication: 32052
• a: 12.0002 ± 0.0005 Å
• b: 12.0002 ± 0.0005 Å
• c: 24.7801 ± 0.0014 Å
• α: 93.67 ± 0.003°
• β: 93.67 ± 0.003°
• γ: 103.706 ± 0.004°
• Cell volume: 3448.2 ± 0.3 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
• Residual factor for all reflections: 0.2065
• Residual factor for significantly intense reflections: 0.1682
• Weighted residual factors for significantly intense reflections: 0.4376
• Weighted residual factors for all reflections included in the refinement: 0.4619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No