Information card for entry 7248197

Structure parameters

• Chemical name: 3,6-diiodo-9H-carbazole
• Formula: C12 H7 I2 N
• Calculated formula: C12 H7 I2 N
• SMILES: Ic1cc2c3c([nH]c2cc1)ccc(I)c3
• Title of publication: Halogen atom substitution effect on the carbazole fluorescence properties and supramolecular interactions in the solid-state
• Authors of publication: Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 12
• Pages of publication: 1773 - 1778
• a: 4.176 ± 0.0008 Å
• b: 11.111 ± 0.002 Å
• c: 12.236 ± 0.003 Å
• α: 90°
• β: 93.14 ± 0.03°
• γ: 90°
• Cell volume: 566.9 ± 0.2 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No