Information card for entry 2207364

Structure parameters

• Chemical name: 2,3-Bis(1-methyl-1H-imidazol-2-ylsulfanylmethyl)quinoxaline
• Formula: C18 H18 N6 S2
• Calculated formula: C18 H18 N6 S2
• SMILES: S(Cc1nc2ccccc2nc1CSc1n(ccn1)C)c1n(ccn1)C
• Title of publication: 2,3-Bis(1-methyl-1<i>H</i>-imidazol-2-ylsulfanylmethyl)quinoxaline
• Authors of publication: Ning-Ning Pan; Wei Wang; Bing Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3939 - o3940
• a: 6.8978 ± 0.0014 Å
• b: 9.953 ± 0.002 Å
• c: 14.556 ± 0.003 Å
• α: 96.495 ± 0.004°
• β: 97.418 ± 0.003°
• γ: 109.863 ± 0.003°
• Cell volume: 918.7 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes