Information card for entry 7208585

Structure parameters

• Formula: C11 H11 I N2 O2
• Calculated formula: C11 H11 I N2 O2
• SMILES: Ic1cc2CC(Cc2cc1)(C(=O)N)C(=O)N
• Title of publication: Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups
• Authors of publication: Kawai, Hidetoshi; Hosoda, Daisuke
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 5717
• a: 10.5351 ± 0.0016 Å
• b: 8.1715 ± 0.0013 Å
• c: 14.384 ± 0.003 Å
• α: 90°
• β: 109.536 ± 0.002°
• γ: 90°
• Cell volume: 1167 ± 0.4 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No