Information card for entry 2312999

Structure parameters

• Chemical name: 10-([2,3'-Bithiophen]-5'-yl)-5,5-difluoro-5<i>H</i>-4λ^4^,5λ^4^-dipyrrolo[1,2-<i>c</i>:2',1'-<i>f</i>][1,3,2]diazaborinine
• Formula: C17 H11 B F2 N2 S2
• Calculated formula: C17 H11 B F2 N2 S2
• Title of publication: Crystal structure and Hirshfeld surface analysis of 10-([2,3'-bi-thio-phen]-5'-yl)-5,5-di-fluoro-5<i>H</i>-4λ⁴,5λ⁴-di-pyrrolo-[1,2-<i>c</i>:2',1'-<i>f</i>][1,3,2]di-aza-borinine.
• Authors of publication: Polyanskaya, Darya K.; Polianskaia, Zlata A.; Khrustalev, Victor N.; Akkurt, Mehmet; Manahelohe, Gizachew Mulugeta; Hasanov, Khudayar I.; Guliyeva, Narmina A.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 7
• Pages of publication: 871 - 876
• a: 9.4693 ± 0.0002 Å
• b: 7.2412 ± 0.0001 Å
• c: 11.2392 ± 0.0002 Å
• α: 90°
• β: 95.512 ± 0.001°
• γ: 90°
• Cell volume: 767.1 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No