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加巴喷丁-内酰胺-氯冉酸(1/1)

Gabapentin-lactum-chloranilic acid (1/1).

作者信息

Jasinski Jerry P, Butcher Ray J, Hakim Al-Arique Q N M, Yathirajan H S, Narayana B

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 16;66(Pt 1):o163-4. doi: 10.1107/S1600536809053410.

Abstract

In the title compound, C(9)H(15)NO·C(6)H(2)Cl(2)O(4) [sytematic name: 2-aza-spiro-[4.5]decan-3-one-chloranilic acid (1/1)], the cyclo-hexane ring of the lactam molecule adopts a slightly distorted normal chair conformation and the five-membered 3-aza-spiro ring is in a slightly distorted chair conformation. The dihedral angle between the least-squares planes of the cyclohexane and 3-azaspiro rings is 84.0 (3)°. In the crystal, the chloranilic acid mol-ecule and the gabapentin-lactum mol-ecules are held together by strong inter-molecular N-H⋯O and O-H⋯O hydrogen bonds with two bifurcated O acceptor atoms on the chloranilic acid mol-ecule and one on the gabapentin-lactum mol-ecule, each bonding with an inter- and intra-molecular hydrogen bond. The molecules are linked into chains parallel to (011) and propagating along the b axis.

摘要

在标题化合物C(9)H(15)NO·C(6)H(2)Cl(2)O(4) [系统名称:2-氮杂-螺-[4.5]癸烷-3-酮-氯冉酸(1/1)]中,内酰胺分子的环己烷环采取略微扭曲的正常椅式构象,五元3-氮杂螺环处于略微扭曲的椅式构象。环己烷环和3-氮杂螺环的最小二乘平面之间的二面角为84.0 (3)°。在晶体中,氯冉酸分子和加巴喷丁-内酰胺分子通过强分子间N-H⋯O和O-H⋯O氢键结合在一起,氯冉酸分子上有两个分叉的O受体原子,加巴喷丁-内酰胺分子上有一个,每个都与分子间和分子内氢键结合。分子连接成平行于(011)的链并沿b轴延伸。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c17/2980187/c6b11860fea9/e-66-0o163-fig1.jpg

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