Seidel Pierre, Meier Eric, Mazik Monika
Institut für Organische Chemie, Technische Universität Bergakademie Freiberg, Leipziger Str. 29, D-09596 Freiberg/Sachsen, Germany.
Acta Crystallogr E Crystallogr Commun. 2025 Jul 31;81(Pt 8):776-781. doi: 10.1107/S2056989025006462. eCollection 2025 Aug 1.
This article describes the crystal structures of 3,4,5-tri-phenyl-toluene, CH (), and 3,4,5-tri-phenyl-benzyl bromide, CHBr (), which represent two inter-mediates of a multistep synthesis of a phenyl-acetic acid derivative. Compound crystallizes from methanol in two polymorphic forms, with the space groups 2/ () and 2/c (). In both cases, van der Waals forces significantly contribute to the cohesion of the crystal structure and the two polymorphs are characterized by similar modes of mol-ecular inter-connection. Compound crystallizes from -hexane in the space group 1, showing a similar pattern of noncovalent inter-actions to and . In all reported structures, the aromatic framework of the mol-ecules adopts a paddlewheel-like conformation.
本文描述了3,4,5-三苯基甲苯（CH()）和3,4,5-三苯基苄基溴（CHBr()）的晶体结构，它们代表了一种苯基乙酸衍生物多步合成中的两种中间体。化合物从甲醇中结晶出两种多晶型物，空间群分别为2/()和2/c()。在这两种情况下，范德华力对晶体结构的凝聚有显著贡献，并且这两种多晶型物具有相似的分子间连接模式。化合物从正己烷中结晶出，空间群为1，显示出与和相似的非共价相互作用模式。在所有报道的结构中，分子的芳香骨架呈现出桨轮状构象。
