Information card for entry 2204315

Structure parameters

• Common name: ZD4054 Form 1
• Chemical name: N-(3-Methoxy-5-methylpyrazin-2-yl)-2-[4-(1,3,4-oxadiazol-2- yl)phenyl]pyridine-3-sulfonamide
• Formula: C19 H16 N6 O4 S
• Calculated formula: C19 H16 N6 O4 S
• SMILES: S(=O)(=O)(Nc1ncc(nc1OC)C)c1cccnc1c1ccc(cc1)c1ocnn1
• Title of publication: <i>N</i>-(3-Methoxy-5-methylpyrazin-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-sulfonamide (ZD4054 Form 1)
• Authors of publication: Stensland, Birgitta; Roberts, Ron J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1817 - o1819
• a: 8.31 ± 0.001 Å
• b: 15.132 ± 0.001 Å
• c: 15.414 ± 0.001 Å
• α: 90°
• β: 90.79 ± 0.01°
• γ: 90°
• Cell volume: 1938.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes