Information card for entry 7210642

Structure parameters

• Formula: C14 H16.5 Cl1.5 N O
• Calculated formula: C14 H14 Cl1.5 N O
• Title of publication: A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions
• Authors of publication: Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 199
• a: 4.8772 ± 0.0002 Å
• b: 16.2559 ± 0.0007 Å
• c: 18.5704 ± 0.0008 Å
• α: 80.839 ± 0.003°
• β: 87.297 ± 0.002°
• γ: 84.649 ± 0.003°
• Cell volume: 1446.43 ± 0.11 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No