Crystal structure of an aceto­nitrile solvate of 2-(3,4,5-triphen­ylphen­yl)acetic acid

IF 0.6 Q4 CRYSTALLOGRAPHY Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-10-01 Epub Date: 2024-10-24 DOI:10.1107/S2056989024009976
Pierre Seidel , Franziska Gottwald , Eric Meier , Monika Mazik
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Abstract

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.

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2-(3,4,5-三苯基苯基)乙酸的乙腈溶剂的晶体结构。
2-(3,4,5-三苯-基苯-基)乙酸(1)由乙腈晶体生长得到空间基P1的单溶剂化物C26H20O2·CH3CN。在晶体中,标题分子的构象是三个苯基环围绕中心芳烃环呈桨轮状排列,羧基残基几乎垂直于该苯环的平面。O-H, o键分子的1的逆对称二聚体代表了晶体结构的基本超分子实体。这些二聚体分子单元通过C- h⋯O=C键进一步连接,形成沿晶体学[111]方向运行的一维超分子聚集体。弱Car-yl-H⋯N相互作用发生在1和乙腈分子之间。
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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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