Information card for entry 2008514

Structure parameters

• Chemical name: Pipemidic Acid Hydrochloride
• Formula: C14 H18 Cl N5 O3
• Calculated formula: C14 H18 Cl N5 O3
• SMILES: [Cl-].n1c(ncc2c(=O)c(cn(c12)CC)C(=O)O)N1CC[NH2+]CC1
• Title of publication: Pipemidic acid hydrochloride
• Authors of publication: Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Shu-zhong Zhan; Chuan-jiang Hu; Qingjin Meng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 766 - 768
• a: 6.8228 ± 0.0001 Å
• b: 7.1672 ± 0.0002 Å
• c: 31.9396 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1561.86 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No