Information card for entry 7225390

Structure parameters

• Formula: C23 H23 N O3 S
• Calculated formula: C23 H23 N O3 S
• SMILES: S1C(N(C(=C\C=C\c2ccccc2)/C(=O)OC)C(=O)C1)c1cc(C)ccc1C
• Title of publication: A Facile and Chemoselective Synthesis of 1,4-Benzodiazepin-2-ones and Dienyl Thiazolidin-4-ones
• Authors of publication: Kuila, Bilash; Kumar, Yogesh; mahajan, Dinesh; Kumar, Kapil; Singh, Prabhpreet; Bhargava, Gaurav
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.2967 ± 0.0005 Å
• b: 18.015 ± 0.0013 Å
• c: 15.0313 ± 0.0011 Å
• α: 90°
• β: 97.477 ± 0.002°
• γ: 90°
• Cell volume: 1959.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No