Information card for entry 7211133

Structure parameters

• Common name: Salicylamide HClO4 salt
• Formula: C7 H8 Cl N O6
• Calculated formula: C7 H8 Cl N O6
• SMILES: Cl(=O)(=O)(=O)[O-].OC(=[NH2+])c1c(O)cccc1
• Title of publication: Synthon preference in O-protonated amide crystals – dominance of short strong hydrogen bonds
• Authors of publication: Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 44
• Pages of publication: 8941
• a: 18.6631 ± 0.0017 Å
• b: 5.1858 ± 0.0005 Å
• c: 20.166 ± 0.0018 Å
• α: 90°
• β: 106.852 ± 0.001°
• γ: 90°
• Cell volume: 1867.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No