Information card for entry 7712973

Structure parameters

• Formula: C25 H17 Br N2 O2
• Calculated formula: C25 H17 Br N2 O2
• Title of publication: 2-Hydroxyphenyl Benzimidazoles and their Boron Complexes: Synthesis, Structure, Aggregation-Induced Emission and Picric acid Sensing
• Authors of publication: Arumugam, Ramar; Nayak, Prakash; Dey, Bijoy; Kannan, Ramkumar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 7.3752 ± 0.0004 Å
• b: 22.593 ± 0.0014 Å
• c: 12.2479 ± 0.0007 Å
• α: 90°
• β: 99.23 ± 0.005°
• γ: 90°
• Cell volume: 2014.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0535
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No