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2-(3-氯-1,2-二氢吡嗪-2-亚基)-2-氰基乙酸正丁酯

n-Butyl 2-(3-chloro-1,2-dihydro-pyrazin-2-yl-idene)-2-cyano-acetate.

作者信息

Stefańska Anita, Ossowski Tadeusz, Ponikiewski Lukasz

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 15;65(Pt 9):o2157-8. doi: 10.1107/S1600536809031870.

DOI:10.1107/S1600536809031870
PMID:21577566
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969917/
Abstract

The title compound, C(11)H(12)ClN(3)O(2), is essentially planar except for the n-but-oxy group [r.m.s. deviation from the least-squares plane = 0.0131 (1) Å for 11 non-H atoms]. An intra-molecular N-H⋯O inter-action results in the formation of an S(6) ring. The n-butoxy chain in the molecule is disordered over two sets of sites of equal occupancy.

摘要

标题化合物C(11)H(12)ClN(3)O(2)，除正丁氧基外基本呈平面结构[11个非氢原子与最小二乘平面的均方根偏差 = 0.0131 (1) Å]。分子内N-H⋯O相互作用导致形成一个S(6)环。分子中的正丁氧基链在两组占有率相等的位置上无序分布。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16b7/2969917/f431a759bc88/e-65-o2157-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16b7/2969917/f431a759bc88/e-65-o2157-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16b7/2969917/f431a759bc88/e-65-o2157-fig1.jpg

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