Information card for entry 2001835

Structure parameters

• Formula: C16 H13 I N2 O
• Calculated formula: C16 H13 I N2 O
• SMILES: Ic1cccc(c1)C1(O)N2CCN=C2c2c1cccc2
• Title of publication: 5-(3-Iodophényl)-2,3-dihydro-5-hydroxy-5<i>H</i>-imidazo[2,1-<i>a</i>]isoindole
• Authors of publication: Rodier, N.; Agafonov, V.; Cense, J. M.; Galinier, E.; Ombetta, J. E.; Frangin, Y.; Guilloteau, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 841 - 843
• a: 8.35 ± 0.002 Å
• b: 8.769 ± 0.003 Å
• c: 10.1473 ± 0.0006 Å
• α: 103.11 ± 0.01°
• β: 94.98 ± 0.02°
• γ: 96.45 ± 0.03°
• Cell volume: 714.2 ± 0.3 ų
• Cell temperature: 294 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.065
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No