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Solvent Control in the Formation of Supramolecular Solvates of 2,4-Diamino-6-methyl-1,3,5-triazine with 5-Nitroisophthalic Acid
Journal of Chemical Crystallography ( IF 0.4 ) Pub Date : 2018-10-23 , DOI: 10.1007/s10870-018-0744-0
Chao Chen , Kai Zhang , Cunrong Zhang , Peiqi Xing , Shuguang Xiang , Yu Yang , Lei Wang

Abstract Crystal shapes can be affected by different solvents from sheet, rod, to block because they can enter into the crystal lattice and co-crystallize with the ligands from various instantaneous microenvironments. In this study, two new supramolecular solvates, formulated as [(C 8 H 4 NO 6 + )·(C 4 H 8 N 5 − )]·H 2 O ( 1 ) and [(C 8 H 3 NO 6 2+ )·(C 4 H 8 N 5 − ) 2 ]·CH 3 OH ( 2 ), were synthesized by the combination of 2,4-diamino-6-methyl-1,3,5-triazine (DAMT) and 5-nitroisophthalic acid (H 2 NIPA) from the solvent mixture of CH 3 COCH 3 –H 2 O/CH 3 OH–H 2 O, respectively. Interestingly, the structures of these two solvates contain both classical hydrogen bond N–H⋯O and heterosynthon $${\text{R}}_{2}^{2}$$ R 2 2 (8). And due to the different solutions, the supramolecular aggregates led to different crystal structures and shapes. Structural analysis shows that the differences in the two solvate structures mainly attributed to the unique hydrogen bonding pattern between the dimers and solvents molecules. 1 and 2 were characterized by single crystal X-ray diffraction, element analysis, infrared radiation, and thermogravimetric analysis. Graphical abstract Two new supramolecular solvates were synthesized by the combination of 2,4-diamino-6-methyl-1,3,5-triazine (DAMT) and 5-nitroisophthalic acid (H 2 NIPA) from the solvent mixture of CH 3 COCH 3 –H 2 O/CH 3 OH–H 2 O.

中文翻译:

2,4-二氨基-6-甲基-1,3,5-三嗪与5-硝基间苯二甲酸形成超分子溶剂化物的溶剂控制

摘要 晶体形状会受到不同溶剂的影响,从片状、棒状到块状,因为它们可以进入晶格并与来自各种瞬时微环境的配体共结晶。在这项研究中,两种新的超分子溶剂化物,配方为 [(C 8 H 4 NO 6 + )·(C 4 H 8 N 5 - )]·H 2 O ( 1 ) 和 [(C 8 H 3 NO 6 2+ )·(C 4 H 8 N 5 - ) 2 ]·CH 3 OH ( 2 ),由 2,4-二氨基-6-甲基-1,3,5-三嗪 (DAMT) 和 5-硝基间苯二甲酸 (H 2 NIPA) 分别来自 CH 3 COCH 3 –H 2 O/CH 3 OH–H 2 O 的溶剂混合物。有趣的是,这两种溶剂化物的结构同时包含经典的氢键 N–H⋯O 和异合子 $${\text{R}}_{2}^{2}$$ R 2 2 (8)。并且由于溶液的不同,超分子聚集体导致了不同的晶体结构和形状。结构分析表明,两种溶剂化物结构的差异主要归因于二聚体和溶剂分子之间独特的氢键模式。1和2通过单晶X射线衍射、元素分析、红外辐射和热重分析表征。图形摘要 从 CH 3 COCH 的溶剂混合物中,通过 2,4-二氨基-6-甲基-1,3,5-三嗪 (DAMT) 和 5-硝基间苯二甲酸 (H 2 NIPA) 的组合合成了两种新的超分子溶剂化物3 –H 2 O/CH 3 OH–H 2 O。
更新日期:2018-10-23
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