Pierre Seidel , Franziska Gottwald , Eric Meier , Monika Mazik
{"title":"2-(3,4,5-三苯基苯基)乙酸的乙腈溶剂的晶体结构。","authors":"Pierre Seidel , Franziska Gottwald , Eric Meier , Monika Mazik","doi":"10.1107/S2056989024009976","DOIUrl":null,"url":null,"abstract":"<div><div>The title molecule 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 molecules represent the basic supramolecular entities of the crystal structure. These dimeric molecular units are further linked by C—H⋯O=C bonds, forming one-dimensional supramolecular aggregates along [111].</div></div><div><div>Crystal growth of 2-(3,4,5-triphenylphenyl)acetic acid (<strong>1</strong>) from acetonitrile yields a monosolvate, C<sub>26</sub>H<sub>20</sub>O<sub>2</sub>·CH<sub>3</sub>CN, of the space group <em>P</em>1. In the crystal, the title molecule 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 molecules of <strong>1</strong> represent the basic supramolecular entities of the crystal structure. These dimeric molecular units are further linked by C—H⋯O=C bonds to form one-dimensional supramolecular aggregates running along the crystallographic [111] direction. Weak C<sub>aryl</sub>—H⋯N interactions occur between the molecules of <strong>1</strong> and acetonitrile.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 11","pages":"Pages 1198-1201"},"PeriodicalIF":0.5000,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11660473/pdf/","citationCount":"0","resultStr":"{\"title\":\"Crystal structure of an acetonitrile solvate of 2-(3,4,5-triphenylphenyl)acetic acid\",\"authors\":\"Pierre Seidel , Franziska Gottwald , Eric Meier , Monika Mazik\",\"doi\":\"10.1107/S2056989024009976\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The title molecule 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 molecules represent the basic supramolecular entities of the crystal structure. These dimeric molecular units are further linked by C—H⋯O=C bonds, forming one-dimensional supramolecular aggregates along [111].</div></div><div><div>Crystal growth of 2-(3,4,5-triphenylphenyl)acetic acid (<strong>1</strong>) from acetonitrile yields a monosolvate, C<sub>26</sub>H<sub>20</sub>O<sub>2</sub>·CH<sub>3</sub>CN, of the space group <em>P</em>1. In the crystal, the title molecule 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 molecules of <strong>1</strong> represent the basic supramolecular entities of the crystal structure. These dimeric molecular units are further linked by C—H⋯O=C bonds to form one-dimensional supramolecular aggregates running along the crystallographic [111] direction. Weak C<sub>aryl</sub>—H⋯N interactions occur between the molecules of <strong>1</strong> and acetonitrile.</div></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"80 11\",\"pages\":\"Pages 1198-1201\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2024-10-01\",\"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://www.sciencedirect.com/org/science/article/pii/S2056989024002573\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989024002573","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Crystal structure of an acetonitrile solvate of 2-(3,4,5-triphenylphenyl)acetic acid
The title molecule 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 molecules represent the basic supramolecular entities of the crystal structure. These dimeric molecular units are further linked by C—H⋯O=C bonds, forming one-dimensional supramolecular aggregates along [111].
Crystal growth of 2-(3,4,5-triphenylphenyl)acetic acid (1) from acetonitrile yields a monosolvate, C26H20O2·CH3CN, of the space group P1. In the crystal, the title molecule 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 molecules of 1 represent the basic supramolecular entities of the crystal structure. These dimeric molecular units are further linked by C—H⋯O=C bonds to form one-dimensional supramolecular aggregates running along the crystallographic [111] direction. Weak Caryl—H⋯N interactions occur between the molecules of 1 and acetonitrile.
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.