The compound 1, [(1H-[1]benzoxepino[5,4-c]pyrazole-3-carboxamide, 8-chloro-1-(2,4-dichlorophenyl)-4,5-dihydro-N- 1-piperidinyl], a known CB1 modulator has been synthesized and characterized by IR, NMR and single Crystal X-ray study. The single crystal study of 1 displays a number of halogen bonds leading to 1-D network along with other weak noncovalent interactions. The CB1 modulator 1 inherently possesses extremely low solubility in water, which makes its application as drug difficult, and this may be attributed to multiple halogen bonds present in the crystal structure. A series of polymer additives, which are Generally Regarded As Safe (GRAS), have been explored to investigate whether they can modulate the halogen bond present in 1 through formation of various non-bonded interactions. Surprisingly, these polymers are found to change crystal morphology, crystal packing while retaining efficacy and bioavailability. The polymer molecular weight is found to play a significant role in crystal morphology modification especially in case of polyethylene glycol (PEG). The formation of new polymorphic forms of 1 and modification of halogen bond has been established using powder X-ray diffraction and IR study, respectively, in case of PEG 4000, PVPK-30, PVA polymers and compound 1 adducts.

中文翻译：

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使用简单且良性的聚合物添加剂调节新型 CB1 受体拮抗剂的形态和功效

发现这些聚合物可以改变晶体形态、晶体堆积，同时保持功效和生物利用度。发现聚合物分子量在晶体形态改性中起着重要作用，尤其是在聚乙二醇 (PEG) 的情况下。在 PEG 4000、PVPK-30、PVA 聚合物和化合物 1 加合物的情况下，分别使用粉末 X 射线衍射和红外研究确定了新的多晶型 1 的形成和卤素键的修饰。