Crystal structures and Hirshfeld surface analyses of N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol tribromide (1/1), N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dibromidoiodate (1/1) and N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dichloridoiodate (1/1)

Autor: Gunay Z. Mammadova, Dmitriy F. Mertsalov, Dmitriy M. Shchevnikov, Mikhail S. Grigoriev, Mehmet Akkurt, Sema Öztürk Yıldırım, Ajaya Bhattarai
Jazyk: angličtina
Rok vydání: 2023
Předmět:
Zdroj: Acta Crystallographica Section E: Crystallographic Communications, Vol 79, Iss 8, Pp 690-697 (2023)
Druh dokumentu: article
ISSN: 2056-9890
20569890
DOI: 10.1107/S2056989023005509
Popis: In the title compounds, N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol tribromide (1/1), C4H9NO·C4H10NO+·Br3− or [(C4H9NO)·(C4H10NO)](Br3), (I), N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dibromidoiodate (1/1), C4H9NO·C4H10NO+·Br2I− or [(C4H9NO)·(C4H10NO)](Br2I), (II), and N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dichloridoiodate (1/1), C4H9NO·C4H10NO+·Cl2I− or [(C4H9NO)·(C4H10NO)]·(Cl2I), (III), all the anions are almost linear in geometry and all the cations, except for the methyl H atoms, are essentially planar. In the crystal structure of (I), the cations are linked by pairs of C—H...O hydrogen bonds, forming inversion dimers with an R22(8) ring motif. These dimers also exhibit O—H...O hydrogen bonding. Dimerized cation pairs and anions are arranged in columns along the a axis. In the crystal of (II), the cations are linked by pairs of O—H...O and C—H...O hydrogen bonds, forming an R44(14) ring motif. These groups of cations and the anions form individual columns along the a axis and jointly reside in planes roughly parallel to (011). In the crystal of (III), cations and anions also form columns parallel to the a axis, resulting in layers parallel to the (020) plane. Furthermore, the crystal structures of (I), (II) and (III) are consolidated by strong halogen (Br and/or I and/or Cl)...H and weak van der Waals interactions. In addition to the structural evaluation, a Hirshfeld surface analysis was carried out.
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