Information card for entry 7248196

Structure parameters

• Chemical name: 3,6-dichloro-9H-carbazole
• Formula: C12 H7 Cl2 N
• Calculated formula: C12 H7 Cl2 N
• SMILES: Clc1ccc2[nH]c3c(c2c1)cc(Cl)cc3
• 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: 5.926 ± 0.0012 Å
• b: 22.325 ± 0.005 Å
• c: 22.507 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2977.6 ± 1.1 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.61 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No