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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Ethyl 2-(4-meth-oxy-phen-yl)-6-oxa-3-aza-bicyclo[3.1.0]hexane-3-carboxyl-ate: crystal structure and Hirshfeld analysis
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Ethyl 2-(4-meth-oxy-phen-yl)-6-oxa-3-aza-bicyclo[3.1.0]hexane-3-carboxyl-ate: crystal structure and Hirshfeld analysis

机译：2-（4-甲基-氧基-苯基-基）-6-氧杂-3-氮杂-双环[3.1.0]己烷-3-羧酸酯：晶体结构和Hirshfeld分析

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摘要

The title compound, C14H17NO4, features an epoxide-O atom fused to a pyrrolidyl ring, the latter having an envelope conformation with the N atom being the flap. The 4-meth-oxy-phenyl group is orthogonal to [dihedral angle = 85.02?(6)°] and lies to the opposite side of the five-membered ring to the epoxide O atom, while the N-bound ethyl ester group (r.m.s. deviation of the five fitted atoms = 0.0187??) is twisted with respect to the ring [dihedral angle = 17.23?(9)°]. The most prominent inter-actions in the crystal are of the type methine-C—H?O(carbon-yl) and these lead to the formation of linear supra-molecular chains along the c axis; weak benzene-C—H?O(epoxide) and methine-C—H?O(meth-oxy) inter-actions connect these into a three-dimensional architecture. The analysis of the Hirshfeld surface confirms the presence of C—H?O inter-actions in the crystal, but also the dominance of H?H dispersion contacts.
机译：标题化合物C14H17NO4的特征是与吡咯烷基环稠合的环氧-O原子，后者具有包膜构象，其中N原子为侧翼。 4-甲氧基苯基垂直于[二面角= 85.02？（6）°]，位于五元环与环氧O原子相反的一侧，而N键合的乙酯基（五个拟合原子的均方根偏差相对于环[二面角= 17.23？（9）°]扭曲。晶体中最突出的相互作用是次甲基-CH 3 O（碳基）类型，这些相互作用导致沿c轴形成线性超分子链。弱的苯-CH 3 O（环氧化物）和次甲基-CH 2 O（甲氧基）相互作用将它们连接成三维结构。 Hirshfeld表面的分析证实了晶体中存在CHH相互作用，但也证实了HH分散接触的优势。

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