Paul R. Palme, Richard Goddard, Markus Leutzsch, Adrian Richter, Peter Imming, Rüdiger W. Seidel
{"title":"Crystal structure of the meso compound (2R,6S)-4-(5-bromopyrimidin-2-yl)-2,6-dimethylmorpholine","authors":"Paul R. Palme, Richard Goddard, Markus Leutzsch, Adrian Richter, Peter Imming, Rüdiger W. Seidel","doi":"10.1107/S2056989026006158","DOIUrl":null,"url":null,"abstract":"<div><div>The title compound, C<sub>10</sub>H<sub>14</sub>N<sub>3</sub>OBr, 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 <em>P</em>2<sub>1</sub>/c) with four molecules in the unit cell (<em>Z</em> = 4). The molecule exhibits approximate <em>C</em><sub>S</sub> 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 <em>R</em><sup>2</sup><sub>2</sub>(6) motif are encountered, whereas the bromine atom does not exhibit any short contacts that could be regarded as halogen bonds.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 7","pages":"Pages 768-772"},"PeriodicalIF":0.5000,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989026001520","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2026/7/13 0:00:00","PubModel":"Epub","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0
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.
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.