Information card for entry 7250357

Structure parameters

• Formula: C13 H9 Br Cl N O
• Calculated formula: C13 H9 Br Cl N O
• Title of publication: Similar polymorphism of derivatives of salicylideneanilines with varying halo-substitution
• Authors of publication: Zhang, Zaixiang; Li, Xin; Liu, Junyu; Wang, Manman; Yang, Yang; Wang, Deyin
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 21
• Pages of publication: 3594 - 3604
• a: 10.1482 ± 0.0005 Å
• b: 4.7544 ± 0.0002 Å
• c: 11.9871 ± 0.0008 Å
• α: 90°
• β: 92.605 ± 0.005°
• γ: 90°
• Cell volume: 577.76 ± 0.05 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 6
• 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: 0.0555
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.391
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No