{"title":"3,4,5-三苯基甲苯和3,4,5-三苯基苄基溴的晶体结构。","authors":"Pierre Seidel , Eric Meier , Monika Mazik","doi":"10.1107/S2056989025006462","DOIUrl":null,"url":null,"abstract":"<div><div>The crystal structures of 3,4,5-triphenyltoluene and 3,4,5-triphenylbenzyl bromide are described, the former of which crystallizes in two polymorphic forms.</div></div><div><div>This article describes the crystal structures of 3,4,5-triphenyltoluene, C<sub>25</sub>H<sub>20</sub> (<strong>1</strong>), and 3,4,5-triphenylbenzyl bromide, C<sub>25</sub>H<sub>19</sub>Br (<strong>2</strong>), which represent two intermediates of a multistep synthesis of a phenylacetic acid derivative. Compound <strong>1</strong> crystallizes from methanol in two polymorphic forms, with the space groups <em>P</em>2/<em>n</em> (<strong>1a</strong>) and <em>P</em>2<sub>1</sub>/c (<strong>1b</strong>). 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 molecular interconnection. Compound <strong>2</strong> crystallizes from <em>n</em>-hexane in the space group <em>P</em>1, showing a similar pattern of noncovalent interactions to <strong>1a</strong> and <strong>1b</strong>. In all reported structures, the aromatic framework of the molecules adopts a paddlewheel-like conformation.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 776-781"},"PeriodicalIF":0.6000,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Crystal structures of 3,4,5-triphenyltoluene and 3,4,5-triphenylbenzyl bromide\",\"authors\":\"Pierre Seidel , Eric Meier , Monika Mazik\",\"doi\":\"10.1107/S2056989025006462\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The crystal structures of 3,4,5-triphenyltoluene and 3,4,5-triphenylbenzyl bromide are described, the former of which crystallizes in two polymorphic forms.</div></div><div><div>This article describes the crystal structures of 3,4,5-triphenyltoluene, C<sub>25</sub>H<sub>20</sub> (<strong>1</strong>), and 3,4,5-triphenylbenzyl bromide, C<sub>25</sub>H<sub>19</sub>Br (<strong>2</strong>), which represent two intermediates of a multistep synthesis of a phenylacetic acid derivative. Compound <strong>1</strong> crystallizes from methanol in two polymorphic forms, with the space groups <em>P</em>2/<em>n</em> (<strong>1a</strong>) and <em>P</em>2<sub>1</sub>/c (<strong>1b</strong>). 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 molecular interconnection. Compound <strong>2</strong> crystallizes from <em>n</em>-hexane in the space group <em>P</em>1, showing a similar pattern of noncovalent interactions to <strong>1a</strong> and <strong>1b</strong>. In all reported structures, the aromatic framework of the molecules adopts a paddlewheel-like conformation.</div></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"81 8\",\"pages\":\"Pages 776-781\"},\"PeriodicalIF\":0.6000,\"publicationDate\":\"2025-08-01\",\"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/S2056989025001355\",\"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/S2056989025001355","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Crystal structures of 3,4,5-triphenyltoluene and 3,4,5-triphenylbenzyl bromide
The crystal structures of 3,4,5-triphenyltoluene and 3,4,5-triphenylbenzyl bromide are described, the former of which crystallizes in two polymorphic forms.
This article describes the crystal structures of 3,4,5-triphenyltoluene, C25H20 (1), and 3,4,5-triphenylbenzyl bromide, C25H19Br (2), which represent two intermediates of a multistep synthesis of a phenylacetic acid derivative. Compound 1 crystallizes from methanol in two polymorphic forms, with the space groups P2/n (1a) and P21/c (1b). 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 molecular interconnection. Compound 2 crystallizes from n-hexane in the space group P1, showing a similar pattern of noncovalent interactions to 1a and 1b. In all reported structures, the aromatic framework of the molecules adopts a paddlewheel-like conformation.
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.