Information card for entry 7054914

Structure parameters

• Chemical name: 2-amino-4-(4-chlorophenyl)-6,6,8,8-tetrahydro-7, 7-dimethyl-5-oxo-4H-chromene-3-carbonitrile
• Formula: C18 H17 Cl N2 O2
• Calculated formula: C18 H17 Cl N2 O2
• SMILES: Clc1ccc(C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)cc1
• Title of publication: Salicyldimine-based Schiff's complex of copper(ii) as an efficient catalyst for the synthesis of nitrogen and oxygen heterocycles
• Authors of publication: Gupta, Manjulla; Gupta, Monika; Rajnikant, Rajnikant; Gupta, Vivek K.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 3578
• a: 9.3992 ± 0.0008 Å
• b: 16.827 ± 0.0011 Å
• c: 10.9101 ± 0.0009 Å
• α: 90°
• β: 112.042 ± 0.01°
• γ: 90°
• Cell volume: 1599.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No