Information card for entry 7247675

Structure parameters

• Common name: BNHMP
• Chemical name: 4-bromo-2-((E)-((Z)-(1-(naphthalen-2-yl)ethylidene)hydrazono)methyl)phenol
• Formula: C19 H15 Br N2 O
• Calculated formula: C19 H15 Br N2 O
• SMILES: Brc1cc(c(O)cc1)/C=N/N=C(/c1cc2c(cc1)cccc2)C
• Title of publication: Interrogating the nature of aggregates formed in a model azine based ESIPT coupled AIE active probe: stark differences in photodynamics in the solid state and aggregates in water.
• Authors of publication: Bhattacharyya, Arghyadeep; Das, Akash; Guchhait, Nikhil
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 46
• Pages of publication: 31702 - 31713
• a: 6.2672 ± 0.0006 Å
• b: 14.7584 ± 0.0012 Å
• c: 17.2093 ± 0.0013 Å
• α: 90°
• β: 94.681 ± 0.004°
• γ: 90°
• Cell volume: 1586.4 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No