Information card for entry 7714717

Structure parameters

• Formula: C10 H13 Cl N6
• Calculated formula: C10 H13 Cl N6
• SMILES: [Cl-].[n+]1(ccc(N)c(N)c1)c1nccc(N)c1N
• Title of publication: Complexation of drug amifampridine with Cu(II), Zn(II) and Cd(II) ions, and its dimerization with the magic of Mn(II) salts. Potential anti-COVID-19 and anticancer activities.
• Authors of publication: Hajibabaei, Farshid; Movafagh, Samaneh Sanei; Salehzadeh, Sadegh; Gable, Robert William
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1066 - 1086
• a: 12.2957 ± 0.0001 Å
• b: 7.9263 ± 0.0001 Å
• c: 11.7461 ± 0.0001 Å
• α: 90°
• β: 100.078 ± 0.001°
• γ: 90°
• Cell volume: 1127.1 ± 0.02 ų
• Cell temperature: 100 ± 0.4 K
• Ambient diffraction temperature: 100 ± 0.4 K
• Number of distinct elements: 4
• 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: 0.0308
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No