Pierre Seidel, Franziska Gottwald, Eric Meier, Monika Mazik
{"title":"Crystal structure of an aceto-nitrile solvate of 2-(3,4,5-triphen-ylphen-yl)acetic acid.","authors":"Pierre Seidel, Franziska Gottwald, Eric Meier, Monika Mazik","doi":"10.1107/S2056989024009976","DOIUrl":null,"url":null,"abstract":"<p><p>Crystal growth of 2-(3,4,5-triphen-ylphen-yl)acetic acid (<b>1</b>) from aceto-nitrile yields a monosolvate, C<sub>26</sub>H<sub>20</sub>O<sub>2</sub>·CH<sub>3</sub>CN, of the space group <i>P</i>1. In the crystal, the title mol-ecule adopts a conformation in which the three phenyl rings are arranged in a paddlewheel-like fashion around the central arene ring and the carboxyl residue is oriented nearly perpendicular to the plane of this benzene ring. Inversion-symmetric dimers of O-H⋯O-bonded mol-ecules of <b>1</b> represent the basic supra-molecular entities of the crystal structure. These dimeric mol-ecular units are further linked by C-H⋯O=C bonds to form one-dimensional supra-molecular aggregates running along the crystallographic [111] direction. Weak C<sub>ar-yl</sub>-H⋯N inter-actions occur between the mol-ecules of <b>1</b> and aceto-nitrile.</p>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 Pt 11","pages":"1198-1201"},"PeriodicalIF":0.5000,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11660473/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1107/S2056989024009976","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/10/1 0:00:00","PubModel":"eCollection","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0
Abstract
Crystal growth of 2-(3,4,5-triphen-ylphen-yl)acetic acid (1) from aceto-nitrile yields a monosolvate, C26H20O2·CH3CN, of the space group P1. In the crystal, the title mol-ecule adopts a conformation in which the three phenyl rings are arranged in a paddlewheel-like fashion around the central arene ring and the carboxyl residue is oriented nearly perpendicular to the plane of this benzene ring. Inversion-symmetric dimers of O-H⋯O-bonded mol-ecules of 1 represent the basic supra-molecular entities of the crystal structure. These dimeric mol-ecular units are further linked by C-H⋯O=C bonds to form one-dimensional supra-molecular aggregates running along the crystallographic [111] direction. Weak Car-yl-H⋯N inter-actions occur between the mol-ecules of 1 and aceto-nitrile.
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.