Information card for entry 2201461

Structure parameters

• Formula: C18 H20 Cl N3 O
• Calculated formula: C18 H20 Cl N3 O
• SMILES: [Cl-].O(N=C(c1cc2c(cc1)cccc2)Cn1c[nH+]cc1)CCC
• Title of publication: 2-(Imidazol-1-yl)-1-(2-naphthyl)ethanone <i>O</i>-propyloxime hydrochloride
• Authors of publication: Özbey, Süheyla; Kendi, Engin; Karakurt, Arzu; Dalkara, Sevim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: o1269 - o1271
• a: 8.6832 ± 0.0016 Å
• b: 9.5662 ± 0.0013 Å
• c: 11.3595 ± 0.0016 Å
• α: 104.967 ± 0.011°
• β: 107.547 ± 0.013°
• γ: 94.12 ± 0.014°
• Cell volume: 857.6 ± 0.3 ų
• Cell temperature: 295 ± 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 significantly intense reflections: 0.0316
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes