Information card for entry 7211131

Structure parameters

• Common name: Ethenzamide HClO4 salt
• Formula: C9 H12 Cl N O6
• Calculated formula: C9 H12 Cl N O6
• SMILES: Cl(=O)(=O)(=O)[O-].O(c1ccccc1C(O)=[NH2+])CC
• 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: 6.7925 ± 0.0017 Å
• b: 14.67 ± 0.004 Å
• c: 11.674 ± 0.003 Å
• α: 90°
• β: 95.785 ± 0.003°
• γ: 90°
• Cell volume: 1157.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0388
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No