Information card for entry 2008904

Structure parameters

• Common name: quinolinium-4-carboxylic acid chloride monohydrate
• Formula: C10 H10 Cl N O3
• Calculated formula: C10 H10 Cl N O3
• Title of publication: Hydrogen bonding and C—H···<i>X</i> interactions in two triclinic phases of 4-carboxyquinolinium chloride monohydrate
• Authors of publication: Dobson, Allison J.; Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1499 - 1503
• a: 4.2969 ± 0.0006 Å
• b: 10.785 ± 0.002 Å
• c: 11.36 ± 0.001 Å
• α: 85 ± 0.01°
• β: 82.99 ± 0.01°
• γ: 89.48 ± 0.01°
• Cell volume: 520.52 ± 0.13 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No