Information card for entry 7246707

Structure parameters

• Formula: C22 H15 Br N2 O
• Calculated formula: C22 H15 Br N2 O
• SMILES: Brc1ccc(C(=O)N/N=C\c2c3c(cc4c2cccc4)cccc3)cc1
• Title of publication: Stress and light sensitive dual-mechanical property of acylhydrazone crystal
• Authors of publication: Manoharan, Deepak; Ahmad, Shamim; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 21
• Pages of publication: 3237 - 3244
• a: 4.3315 ± 0.0004 Å
• b: 18.5293 ± 0.0017 Å
• c: 21.324 ± 0.002 Å
• α: 90°
• β: 93.751 ± 0.004°
• γ: 90°
• Cell volume: 1707.8 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No