Crystal structure and Hirshfeld surface analysis of supramolecular aggregate of 2,2,6,6-tetramethyl-piperidin-1-ium bromide with 1,2,3,4-tetrafluoro-5,6-diiodobenzene

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Atıf İçin Kopyala

Gurbanov A. V., HÖKELEK T., Mammadova G. Z., Hasanov K. I., Javadzade T. A., Belay A. N.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, ss.53-62, 2025 (ESCI)

• Yayın Türü: Makale / Tam Makale
• Basım Tarihi: 2025
• Doi Numarası: 10.1107/s2056989024011502
• Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI)
• Sayfa Sayıları: ss.53-62
• Hacettepe Üniversitesi Adresli: Evet

Özet

The asymmetric unit of the title compound, C9H20N+center dot Br center dot C6F4I2, contains one 2,2,6,6 tetramethylpiperidine-1-ium cation, one 1,2,3,4-tetrafluoro-5,6-diiodobenzene molecule, and one uncoordinated bromide anion. In the crystal, the bromide anions link the 2,2,6,6-tetramethylpiperidine molecules by intermolecular C-H center dot center dot center dot Br and N-H center dot center dot center dot Br hydrogen bonds, leading to dimers, with the coplanar 1,2,3,4-tetrafluoro-5,6-diiodobenzene molecules filling the space between them. There is a pi-pi interaction between the almost parallel benzene rings [dihedral angle = 10.5 (2)degrees] with a centroid-to-centroid distance of 3.838 (3) angstrom and slippage of 1.468 angstrom. No C-H center dot center dot center dot pi(ring) interactions are observed. A Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are from H center dot center dot center dot F/F center dot center dot center dot H (23.8%), H center dot center dot center dot H (22.6%), H center dot center dot center dot Br/Br center dot center dot center dot H (17.3%) and H center dot center dot center dot I/I center dot center dot center dot H (13.8%) interactions. Hydrogen bonding and van derWaals interactions are the dominant interactions in the crystal packing.