Information card for entry 7250356

Structure parameters

• Formula: C13 H9 Br2 N O
• Calculated formula: C13 H9 Br2 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: 10.3111 ± 0.0003 Å
• b: 4.75675 ± 0.00013 Å
• c: 11.9502 ± 0.0004 Å
• α: 90°
• β: 92.026 ± 0.003°
• γ: 90°
• Cell volume: 585.76 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No