面溴-三碳基[4-（4-甲基-氧-苯基）-2-（吡啶-2-基）噻唑-κ 2n，N ']铼(I)的两种多晶型晶体结构

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-11-01 DOI:10.1107/S2056989024010727

Yuki Matsuda , Ryota Nakamura , Yoshiki Ozawa , Masaaki Abe

{"title":"面溴-三碳基[4-（4-甲基-氧-苯基）-2-（吡啶-2-基）噻唑-κ 2n，N ']铼(I)的两种多晶型晶体结构","authors":"Yuki Matsuda , Ryota Nakamura , Yoshiki Ozawa , Masaaki Abe","doi":"10.1107/S2056989024010727","DOIUrl":null,"url":null,"abstract":"<div><div>Crystallization of the title compound from CH2Cl2/n-pentane (1:5 v/v) at room temperature gave two polymorphs, which crystallize in monoclinic (P21/c; α form) and orthorhombic (Pna21; β form) space groups. The ReI complex molecules in either polymorph adopt a six-coordinate octahedral geometry with three facially-oriented carbonyl ligands, one bromido ligand, and two nitrogen atoms from one chelating ligand ppt-OMe. In the crystal, both polymorph α and β form di-periodic sheet-like architectures supported by multiple hydrogen bonds.</div></div><div><div>Crystallization of the title compound, fac-[ReBr(ppt-OMe)(CO)3] (ppt-OMe = C15H12N2OS), from CH2Cl2/n-pentane (1:5 v/v) at room temperature gave two polymorphs, which crystallize in monoclinic (P21/c; α form) and orthorhombic (Pna21; β form) space groups. The ReI complex molecules in either polymorph adopt a six-coordinate octahedral geometry with three facially-oriented carbonyl ligands, one bromido ligand, and two nitrogen atoms from one chelating ligand ppt-OMe. In the crystal, both polymorph α and β form di-periodic sheet-like architectures supported by multiple hydrogen bonds. In polymorph α, two types of hydrogen bonds (C—H⋯O) are found while, in polymorph β, four types of hydrogen bonds (C—H⋯O and C—H⋯Br) exist.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 12","pages":"Pages 1283-1287"},"PeriodicalIF":0.5000,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Crystal structures of two polymorphs for fac-bromidotricarbonyl[4-(4-methoxyphenyl)-2-(pyridin-2-yl)thiazole-κ2N,N′]rhenium(I)\",\"authors\":\"Yuki Matsuda , Ryota Nakamura , Yoshiki Ozawa , Masaaki Abe\",\"doi\":\"10.1107/S2056989024010727\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Crystallization of the title compound from CH2Cl2/n-pentane (1:5 v/v) at room temperature gave two polymorphs, which crystallize in monoclinic (P21/c; α form) and orthorhombic (Pna21; β form) space groups. The ReI complex molecules in either polymorph adopt a six-coordinate octahedral geometry with three facially-oriented carbonyl ligands, one bromido ligand, and two nitrogen atoms from one chelating ligand ppt-OMe. In the crystal, both polymorph α and β form di-periodic sheet-like architectures supported by multiple hydrogen bonds.</div></div><div><div>Crystallization of the title compound, fac-[ReBr(ppt-OMe)(CO)3] (ppt-OMe = C15H12N2OS), from CH2Cl2/n-pentane (1:5 v/v) at room temperature gave two polymorphs, which crystallize in monoclinic (P21/c; α form) and orthorhombic (Pna21; β form) space groups. The ReI complex molecules in either polymorph adopt a six-coordinate octahedral geometry with three facially-oriented carbonyl ligands, one bromido ligand, and two nitrogen atoms from one chelating ligand ppt-OMe. In the crystal, both polymorph α and β form di-periodic sheet-like architectures supported by multiple hydrogen bonds. In polymorph α, two types of hydrogen bonds (C—H⋯O) are found while, in polymorph β, four types of hydrogen bonds (C—H⋯O and C—H⋯Br) exist.</div></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"80 12\",\"pages\":\"Pages 1283-1287\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2024-11-01\",\"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/S2056989024002160\",\"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/S2056989024002160","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}

引用次数: 0

摘要

由CH2Cl2/正戊烷（1:5 v/v）在室温下结晶得到两个晶型，晶型为单斜晶型(P21/c；α型)和正交菱形(Pna21；（β形式）空间群。两种多晶型的ReI配合物分子均为六坐标八面体，由三个面向面羰基配体、一个溴配体和来自一个螯合配体pt- ome的两个氮原子组成。在晶体中，α和β均形成由多个氢键支撑的双周期片状结构。以CH2Cl2/正戊烷（1:5 v/v）为原料，在室温下结晶得到两个晶型，晶型为单斜晶型(P21/c；α型)和正交菱形(Pna21；（β形式）空间群。两种多晶型的ReI配合物分子均为六坐标八面体，由三个面向面羰基配体、一个溴配体和来自一个螯合配体pt- ome的两个氮原子组成。在晶体中，α和β均形成由多个氢键支撑的双周期片状结构。在多晶α中，存在两种类型的氢键（C-H⋯O），而在多晶β中，存在四种类型的氢键（C-H⋯O和C-H⋯Br）。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文本刊更多论文

Crystal structures of two polymorphs for fac-bromidotricarbonyl[4-(4-methoxyphenyl)-2-(pyridin-2-yl)thiazole-κ2N,N′]rhenium(I)

Crystallization of the title compound from CH₂Cl₂/n-pentane (1:5 v/v) at room temperature gave two polymorphs, which crystallize in monoclinic (P2₁/c; α form) and orthorhombic (Pna2₁; β form) space groups. The Re^I complex molecules in either polymorph adopt a six-coordinate octahedral geometry with three facially-oriented carbonyl ligands, one bromido ligand, and two nitrogen atoms from one chelating ligand ppt-OMe. In the crystal, both polymorph α and β form di-periodic sheet-like architectures supported by multiple hydrogen bonds.

Crystallization of the title compound, fac-[ReBr(ppt-OMe)(CO)₃] (ppt-OMe = C₁₅H₁₂N₂OS), from CH₂Cl₂/n-pentane (1:5 v/v) at room temperature gave two polymorphs, which crystallize in monoclinic (P2₁/c; α form) and orthorhombic (Pna2₁; β form) space groups. The Re^I complex molecules in either polymorph adopt a six-coordinate octahedral geometry with three facially-oriented carbonyl ligands, one bromido ligand, and two nitrogen atoms from one chelating ligand ppt-OMe. In the crystal, both polymorph α and β form di-periodic sheet-like architectures supported by multiple hydrogen bonds. In polymorph α, two types of hydrogen bonds (C—H⋯O) are found while, in polymorph β, four types of hydrogen bonds (C—H⋯O and C—H⋯Br) exist.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

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.