Information card for entry 2220231

Structure parameters

• Chemical name: 3,4,5-Trimethoxybenzohydrazidium chloride
• Formula: C10 H15 Cl N2 O4
• Calculated formula: C10 H15 Cl N2 O4
• SMILES: [Cl-].O(c1cc(cc(OC)c1OC)C(=O)N[NH3+])C
• Title of publication: 3,4,5-Trimethoxybenzohydrazidium chloride
• Authors of publication: Saeed, Aamer; Mumtaz, Amara; Rafique, Hummera; Gotoh, Kazuma; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2336
• a: 38.587 ± 0.003 Å
• b: 4.8202 ± 0.0003 Å
• c: 13.5915 ± 0.001 Å
• α: 90°
• β: 108.459 ± 0.002°
• γ: 90°
• Cell volume: 2397.9 ± 0.3 ų
• Cell temperature: 223 ± 1 K
• Ambient diffraction temperature: 223 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes