Information card for entry 7218540

Structure parameters

• Common name: Moxonidine
• Chemical name: 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine
• Formula: C9 H12 Cl N5 O
• Calculated formula: C9 H12 Cl N5 O
• SMILES: c1(c(c(Cl)nc(C)n1)N=C1NCCN1)OC
• Title of publication: Understanding the amino ↔ imino tautomeric preference in (imidazole)imidazolidine-N-aryl(alkyl) systems: a case study of moxonidine drug and insights from the Cambridge structural database (CSD)
• Authors of publication: Babu Nanubolu, Jagadeesh; Sridhar, Balasubramanian; Ravikumar, Krishnan
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 46
• Pages of publication: 10602
• a: 21.293 ± 0.002 Å
• b: 7.8312 ± 0.0009 Å
• c: 13.9098 ± 0.0016 Å
• α: 90°
• β: 109.82 ± 0.002°
• γ: 90°
• Cell volume: 2182.1 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0656
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.271
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No