Information card for entry 2313031

Structure parameters

• Chemical name: 4-[<i>N</i>'-(Propan-2-ylidene)hydrazinecarbonyl]pyridin-1-ium chloride
• Formula: C9 H12 Cl N3 O
• Calculated formula: C9 H12 Cl N3 O
• Title of publication: Preparation of a chloride salt of covalently modified isoniazid.
• Authors of publication: Mahwasane, Rolivhuwa; Smith, Mark G.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 6
• Pages of publication: 747 - 750
• a: 7.6446 ± 0.0002 Å
• b: 7.865 ± 0.0003 Å
• c: 8.7236 ± 0.0003 Å
• α: 100.488 ± 0.001°
• β: 91.053 ± 0.001°
• γ: 100.038 ± 0.001°
• Cell volume: 507.17 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No