Crystal structure of the meso compound (2R,6S)-4-(5-bromo­pyrimidin-2-yl)-2,6-di­methyl­morpholine

IF 0.5 Q4 CRYSTALLOGRAPHY Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-07-01 Epub Date: 2026-07-13 DOI:10.1107/S2056989026006158
Paul R. Palme, Richard Goddard, Markus Leutzsch, Adrian Richter, Peter Imming, Rüdiger W. Seidel
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Abstract

The title compound, C10H14N3OBr, was prepared by a nucleophilic aromatic substitution reaction between 2,6-di­methyl­morpholine and 2-chloro­pyrimidine, followed by bromination of the pyrimidine ring. The compound crystallizes in the monoclinic system (space group P21/c) with four mol­ecules in the unit cell (Z = 4). The mol­ecule exhibits approximate CS point-group symmetry (r.m.s. deviation: 0.1072 Å). The arrangement of the mol­ecules in the solid state is dominated by close packing. C—H⋯N contacts between pyrimidinyl rings in adjacent mol­ecules with an R22(6) motif are encountered, whereas the bromine atom does not exhibit any short contacts that could be regarded as halogen bonds.
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中间体化合物(2R,6S)-4-(5-溴-嘧啶-2-基)-2,6-二甲基-啉的晶体结构。
本文的标题化合物C10H14N3OBr是由2,6-二甲基-啉与2-氯嘧啶发生亲核取代反应,然后将嘧啶环溴化而得。该化合物在单斜晶系(空间群P21/c)中结晶,在单元胞(Z = 4)内有4个分子。分子表现出近似的cs点群对称(均方根偏差:0.1072 Å)。在固体状态下,分子的排列以紧密排列为主。在具有r22(6)基序的相邻分子中,嘧啶基环之间会遇到C-H⋯N接触,而溴原子不表现出任何可视为卤素键的短接触。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CiteScore
1.90
自引率
0.00%
发文量
351
审稿时长
3 weeks
期刊介绍: Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.
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