Information card for entry 2205315

Structure parameters

• Chemical name: 4'-[2-Butyl-4-chloro-5-(hydroxyiminomethyl)-1H-imidazol-3-ylmethyl]biphenyl- 2-carbonitrile
• Formula: C22 H21 Cl N4 O
• Calculated formula: C22 H21 Cl N4 O
• SMILES: CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1C#N)/C=N/O)Cl
• Title of publication: 4'-[2-Butyl-4-chloro-5-(hydroxyiminomethyl)-1<i>H</i>-imidazol-3-ylmethyl]biphenyl-2-carbonitrile
• Authors of publication: Yathirajan, Hemmige S.; Nagaraj, Basavegowda; Narasegowda, Rajenahally S.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o714 - o715
• a: 7.6974 ± 0.0006 Å
• b: 7.8682 ± 0.0006 Å
• c: 19.1907 ± 0.0016 Å
• α: 79.823 ± 0.006°
• β: 84.248 ± 0.007°
• γ: 64.22 ± 0.006°
• Cell volume: 1029.77 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes