Mammadova Gunay Z, Mertsalov Dmitriy F, Shchevnikov Dmitriy M, Grigoriev Mikhail S, Akkurt Mehmet, Yıldırım Sema Öztürk, Bhattarai Ajaya
Organic Chemistry Department, Baku State University, Z. Xalilov Str. 23, Az 1148 Baku, Azerbaijan.
Peoples' Friendship University of Russia (RUDN University), 6 Miklukho-Maklaya St., Moscow 117198, Russian Federation.
Acta Crystallogr E Crystallogr Commun. 2023 Jul 4;79(Pt 8):690-697. doi: 10.1107/S2056989023005509. eCollection 2023 Jul 1.
In the title compounds, ,-di-methyl-acetamide-1-(dimethyl-λ-aza-nyl-idene)ethan-1-ol tribromide (1/1), CHNO·CHNO·Br or (CHNO)·(CHNO), (), ,-di-methyl-acetamide-1-(dimethyl-λ-aza-nyl-idene)ethan-1-ol di-bromido-iodate (1/1), CHNO·CHNO·BrI or (CHNO)·(CHNO), (), and ,-di-methyl-acetamide-1-(dimethyl-λ-aza-nyl-idene)ethan-1-ol di-chlorido-iodate (1/1), CHNO·CHNO·ClI or [(CHNO)·(CHNO)]·(ClI), (), 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 (), the cations are linked by pairs of C-H⋯O hydrogen bonds, forming inversion dimers with an (8) ring motif. These dimers also exhibit O-H⋯O hydrogen bonding. Dimerized cation pairs and anions are arranged in columns along the axis. In the crystal of (), the cations are linked by pairs of O-H⋯O and C-H⋯O hydrogen bonds, forming an (14) ring motif. These groups of cations and the anions form individual columns along the axis and jointly reside in planes roughly parallel to (011). In the crystal of (), cations and anions also form columns parallel to the axis, resulting in layers parallel to the (020) plane. Furthermore, the crystal structures of (), () and ( are consolidated by strong halogen (Br and/or I and/or Cl)⋯H and weak van der Waals inter-actions. In addition to the structural evaluation, a Hirshfeld surface analysis was carried out.
在标题化合物中，N,N-二甲基乙酰胺-1-(二甲基-λ-氮烯基)乙醇三溴化物(1/1)，CH₃NO·CH₃NO·Br₃ 或 (CH₃NO)·(CH₃NO)，(I)，N,N-二甲基乙酰胺-1-(二甲基-λ-氮烯基)乙醇二溴碘酸盐(1/1)，CH₃NO·CH₃NO·BrI 或 (CH₃NO)·(CH₃NO)，(II)，以及 N,N-二甲基乙酰胺-1-(二甲基-λ-氮烯基)乙醇二氯碘酸盐(1/1)，CH₃NO·CH₃NO·ClI 或 [(CH₃NO)·(CH₃NO)]·(ClI)，(III)，所有阴离子在几何形状上几乎呈线性，并且除甲基氢原子外，所有阳离子基本上是平面的。在(I)的晶体结构中，阳离子通过C-H⋯O氢键对相连，形成具有R²²(8)环 motif 的反演二聚体。这些二聚体还表现出O-H⋯O氢键。二聚化的阳离子对和阴离子沿a轴排列成列。在(II)的晶体中，阳离子通过O-H⋯O和C-H⋯O氢键对相连，形成R²²(14)环 motif。这些阳离子基团和阴离子沿a轴形成单独的列，并共同位于大致平行于(011)的平面中。在(III)的晶体中，阳离子和阴离子也形成平行于a轴的列，产生平行于(020)平面的层。此外，(I)、(II)和(III)的晶体结构通过强卤素(Br和/或I和/或Cl)⋯H和弱范德华相互作用得以巩固。除了结构评估外，还进行了 Hirshfeld 表面分析。
