Information card for entry 7246341

Structure parameters

• Formula: C9 H10 Cl N O2
• Calculated formula: C9 H10 Cl N O2
• SMILES: [Cl-].Oc1cccc2ccc[nH+]c12.O
• Title of publication: On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline
• Authors of publication: Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 13
• Pages of publication: 1993 - 2002
• a: 7.7734 ± 0.0004 Å
• b: 8.0302 ± 0.0004 Å
• c: 15.1465 ± 0.0008 Å
• α: 90°
• β: 99.036 ± 0.005°
• γ: 90°
• Cell volume: 933.74 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.06
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No