Abstract

Thiazolo[3,2-a]pyrimidines namely ethyl 2-acetyl-5-(2-fluorophenyl)-3,7-dimethyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate 3a, ethyl 2-acetyl-5-(3-fluorophenyl)-3,7-dimethyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate 3b, and ethyl 2-acetyl-5-(4-fluorophenyl)-3,7-dimethyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate 3c were obtained by one pot synthesis using substituted 3,4 dihydropyrimidine2-thione (1a–1c) and 3-chloro-2,4-pentanedione in ethanol and characterized by single-crystal X-ray diffraction. The variation in the position of fluorine atom on pyrimidine nucleus and insight into the self-assembly of compounds with varied types of non-covalent interactions has great influence on crystal packing.

中文翻译：

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噻唑并嘧啶衍生物的合成和晶体结构：弱相互作用的见解。

摘要

噻唑并[3,2-a]嘧啶，即乙基2-乙酰基-5-（2-氟苯基）-3,7-二甲基-5H-噻唑并[3,2-a]嘧啶-6-羧酸酯3a，乙基2-乙酰基-5-（3-氟苯基）-3,7-二甲基-5 H-噻唑并[3,2-a]嘧啶-6-羧酸盐3b和乙基2-乙酰基-5-（4-氟苯基）-3,7 -二甲基-5 H-噻唑并[3,2- a ]嘧啶-6-羧酸酯3c是通过一锅合成，使用取代的3,4-二氢嘧啶2-硫酮（1a – 1c）获得的和3-氯-2,4-戊二酮在乙醇中的溶液，并通过单晶X射线衍射表征。嘧啶核上氟原子位置的变化以及对具有不同类型非共价相互作用的化合物的自组装的了解，对晶体堆积有很大影响。