Information card for entry 7062260

Structure parameters

• Formula: C13 H8 Cl2 I N O
• Calculated formula: C13 H8 Cl2 I N O
• Title of publication: AIE in the halogenated anils and their utilization as fluorescent probes for explosive nitro-aromatics
• Authors of publication: Ahangar, Aadil A.; Ahmad, Ishtiyaq; Dar, Aijaz A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 10
• Pages of publication: 4775 - 4783
• a: 7.9091 ± 0.0005 Å
• b: 8.4598 ± 0.0006 Å
• c: 11.0761 ± 0.0007 Å
• α: 86.407 ± 0.005°
• β: 74.604 ± 0.006°
• γ: 64.696 ± 0.007°
• Cell volume: 644.85 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No