Information card for entry 7000427

Structure parameters

• Common name: (Z)-3-Ferrocenylmethylidene-1,3-dihydro-2H-indol-2-one
• Chemical name: (Z)-3-Ferrocenylmethylidene-1,3-dihydro-2H-indol-2-one
• Formula: C19 H15 Fe N O
• Calculated formula: C19 H15 Fe N O
• SMILES: [c]12(C=C3c4c(cccc4)NC3=O)[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82
• Title of publication: Structural and biological investigation of ferrocene-substituted 3-methylidene-1,3-dihydro-2H-indol-2-ones
• Authors of publication: Spencer, John; Mendham, Andrew P.; Kotha, Arun K.; Richardson, Simon C. W.; Hillard, Elizabeth A.; Jaouen, Gérard; Male, Louise; Hursthouse, Michael B.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 6
• Pages of publication: 918 - 921
• a: 15.1939 ± 0.0014 Å
• b: 6.1825 ± 0.0006 Å
• c: 15.4621 ± 0.0014 Å
• α: 90°
• β: 93.168 ± 0.005°
• γ: 90°
• Cell volume: 1450.2 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1522
• Residual factor for significantly intense reflections: 0.0996
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No