Information card for entry 2223180

Structure parameters

• Chemical name: [5-(2-Furyl)-6-nitro-1,2,3,5,6,7-hexahydroimidazo[1,2-<i>a</i>]pyridin- 8-yl](phenyl)methanone
• Formula: C18 H17 N3 O4
• Calculated formula: C18 H17 N3 O4
• SMILES: o1c([C@@H]2N3CCNC3=C(C[C@H]2N(=O)=O)C(=O)c2ccccc2)ccc1.o1c([C@H]2N3CCNC3=C(C[C@@H]2N(=O)=O)C(=O)c2ccccc2)ccc1
• Title of publication: [5-(2-Furyl)-6-nitro-1,2,3,5,6,7-hexahydroimidazo[1,2-<i>a</i>]pyridin-8-yl](phenyl)methanone
• Authors of publication: Yaqub, Muhammad; Shafiq, Zahid; Qureshi, Ashfaq M.; Najam-ul-Haq, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2283
• a: 11.98 ± 0.002 Å
• b: 15.047 ± 0.003 Å
• c: 17.932 ± 0.004 Å
• α: 90°
• β: 101.94 ± 0.03°
• γ: 90°
• Cell volume: 3162.5 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0715
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes