Information card for entry 2013665

Structure parameters

• Common name: betainohydroxamic acid
• Chemical name: N-hydroxy-2-(trimethylammonio)acetamide chloride
• Formula: C5 H13 Cl N2 O2
• Calculated formula: C5 H13 Cl N2 O2
• SMILES: [Cl-].O=C(NO)C[N+](C)(C)C
• Title of publication: Betainohydroxamic acid chloride
• Authors of publication: Matković-Čalogović, Dubravka; Biruš, Mladen; Bešić, Erim; Gabričević, Mario
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o694 - o695
• a: 9.1099 ± 0.0009 Å
• b: 8.8472 ± 0.0013 Å
• c: 11.0093 ± 0.0011 Å
• α: 90°
• β: 110.182 ± 0.006°
• γ: 90°
• Cell volume: 832.84 ± 0.17 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 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: 0.049
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes