Information card for entry 7134810

Structure parameters

• Common name: DM12
• Formula: C24 H17 Br N2 O2
• Calculated formula: C24 H17 Br N2 O2
• Title of publication: Water-driven modulation of multiresponsive properties in acylhydrazone-based crystals.
• Authors of publication: Manoharan, Deepak; Bhowmik, Aritra; Mishra, Manish Kumar; Ghosh, Soumyajit
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 65
• Pages of publication: 12139 - 12142
• a: 4.6907 ± 0.0005 Å
• b: 12.763 ± 0.0017 Å
• c: 31.449 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1882.8 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No