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首页> 外文期刊>Crystal growth & design >Thermal single crystal to single crystal transformation among crystal polymorphs in 2-dimethylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine and in a 1-quinoline analogue
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Thermal single crystal to single crystal transformation among crystal polymorphs in 2-dimethylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine and in a 1-quinoline analogue

机译：2-二甲氨基-5,7-双（三氟甲基）-1,8-萘啶和1-喹啉类似物中多晶型之间的热单晶至单晶热转变

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摘要

2-Dimethylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine 1 was prepared as a new solid-state fluorophore. Recrystallization of 1 from CH_ 2Cl_2-hexane afforded three crystal polymorphs, G, BM, and BO, with the space group (crystal class) C2/c (monoclinic), P2_1/c (monoclinic), and Pbca (orthorhombic), respectively, at 23 C. DSC curves for G showed one endothermic peak at 110 C in the high temperature region and two pairs of endo- and exothermic peaks at ca. 18 and 7 C in the low temperature region, which were assigned as crystal phase transitions. In the high temperature region, a reversible transformation from G to B (a mixture of BM and BO) by heating at 110 C and from B to G by grinding was observed with alteration of the emitted color. In the low temperature region, X-ray crystallography suggested that G transformed to G2 (10 C) and G4 (-50 C) with a subtle alteration of molecular arrangements through thermal single crystal to single crystal interconversion. Eventually, 1 provided five crystal polymorphs, G, G2, G4, BM, and BO, containing eight crystallographically independent molecules. In contrast, the 1-quinoline analogue, 2, provided two crystal polymorphs, 2α (23 C) and 2β (-123 C).
机译：制备2-二甲基氨基-5,7-双（三氟甲基）-1,8-萘啶1作为新的固态荧光团。从CH_2Cl_2 /正己烷中重结晶1得到三种晶体多晶型物G，BM和BO，其空间群（晶体类）为C2 / c（单斜晶），P2_1 / c（单斜晶）和Pbca（斜方晶）， G的DSC曲线分别显示了在高温区域在110℃的一个吸热峰和在约200℃的两对吸热峰和放热峰。低温区的温度为18和7 C，它们被指定为晶体相变。在高温区域，观察到在110℃加热时从G向B（BM和BO的混合物）的可逆转变，以及通过研磨从B向G的可逆转变，同时改变了发射的颜色。在低温区域，X射线晶体学表明G转变为G2（10 C）和G4（-50 C），通过热单晶到单晶互变的分子排列发生了细微的变化。最终，1提供了五个晶体多晶型物G，G2，G4，BM和BO，其中包含八个晶体学独立的分子。相反，1-喹啉类似物2提供了两个晶体多晶型物2α（23 C）和2β（-123 C）。

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