An unusual conformation of gabapentin (Gpn) in Pyr-Gpn-NH-NH-Pyr stabilized by weak inter-actions

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An unusual conformation of gabapentin (Gpn) in Pyr-Gpn-NH-NH-Pyr stabilized by weak inter-actions

机译：通过弱相互作用稳定的Pyr-Gpn-NH-NH-Pyr中加巴喷丁（Gpn）的异常构象

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The crystal structure of N-[(1-{2-oxo-2-[2-(pyrazin-2-ylcarbon-yl)hydrazin- 1-yl]eth-yl}cyclo-hex-yl)meth-yl]pyrazine-2-carbox-amide monohydrate (Pyr-Gpn-NN-NH-Pyr·H2O), C19H23N7O3·H2O, reveals an unusual trans-gauche (tg -) conformation for the gabapentin (Gpn) residue around the Cγ - Cβ (θ1) and C β - Cα (θ2) bonds. The mol-ecular conformation is stabilized by intra-molecular N - H?N hydrogen bonds and weak C - H?O inter-actions. The packing of the mol-ecules in the crystal lattice shows a network of strong N - H?O and O - H?O hydrogen bonds together with weak C - H?O and π-π inteactions.

机译：N-[（1- {2-氧代-2- [2-（吡嗪-2-基碳-基）基肼基-1-基]乙基-基}环己基）甲基-基]吡嗪的晶体结构-2-羧酰胺一水合物（Pyr-Gpn-NN-NH-Pyr·H2O）C19H23N7O3·H2O揭示了Cγ-Cβ（θ1 ）和Cβ-Cα（θ2）键。分子内的构象通过分子内的N-H2N氢键和弱的C-H2O相互作用而稳定。分子晶在晶格中的堆积显示出强大的N-H2O和O-H2O氢键网络以及弱的C-H2O和π-π互感网络。

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《Acta crystallographica. Section C, Structural chemistry.》 |2014年第8期|共4页
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正文语种 eng
中图分类晶体学;
关键词
conformation; crystal structure; gabapentin; hydrogen bonding; medicinal compounds; weak inter-action; ω-amino acid;

机译：构象;晶体结构;加巴喷丁;氢键;药用化合物;弱相互作用;ω-氨基酸;

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1. An unusual conformation of gabapentin (Gpn) in Pyr-Gpn-NH-NH-Pyr stabilized by weak inter-actions [J] . Acta crystallographica. Section C, Structural chemistry. . 2014,第8期

机译：通过弱相互作用稳定的Pyr-Gpn-NH-NH-Pyr中加巴喷丁（Gpn）的异常构象
2. Stabilizing unusual conformations in small peptides and glucopeptides using a hydroxylated cyclobutane amino acid [J] . Alberto Fernandez-Tejada, Francisco Corzana, Jesus H. Busto, Organic & biomolecular chemistry . 2009,第14期

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7. Crystal structures of four indole derivatives with a phenyl substituent at the 2-position and a carbonyl group at the 3-position : the C(6) N-H⋯O chain remains the same, but the weak reinforcing inter-actions are different [O] . Kerr Jamie R., Trembleau Laurent, Storey John M. D., 2016

机译：四个吲哚衍生物的晶体结构在2位带有苯基取代基，在3位带有羰基：C（6）N-H⋯O链保持相同，但弱的增强相互作用互不相同
8. Unusual Conformational Transition in Monomolecular and Langmuir-Blodgett Films of the Poly(diacetylene) Poly-4-BCMU, Poly(dibutyl 4,19-dioxo-5,18-dioxa-3,20-diaza-10,12-docosadiynedioate) [R] . Biegajski, J. E., Burzynski, R., Cadenhead, D. A., 1986

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An unusual conformation of gabapentin (Gpn) in Pyr-Gpn-NH-NH-Pyr stabilized by weak inter-actions

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