Information card for entry 2008903

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: 7.74 ± 0.001 Å
• b: 7.948 ± 0.002 Å
• c: 9.984 ± 0.001 Å
• α: 84.25 ± 0.01°
• β: 77.38 ± 0.01°
• γ: 61.02 ± 0.01°
• Cell volume: 524.3 ± 0.17 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: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No