Molecular and Crystal Structures of Some Bromocymantrenes

IF 0.4 4区化学 Q4 CRYSTALLOGRAPHY Journal of Chemical Crystallography Pub Date : 2024-08-19 DOI:10.1007/s10870-024-01026-1

Karlheinz Sünkel, Christian Klein-Heßling

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Abstract

Crystals of mono- and dibromo as well as two isomeric tribromocymantrenes [Mn(C₅H_5-nBr_n)(CO)₂(PPh₃)] (n = 1–3) were obtained and examined by X-ray diffraction. The degree of substitution has only minor influence on bond lengths and angles. However, the relative orientations of bromo substituents and PPh₃ ligand as well as relative orientation of the cyclopentadienyl ring and the MnC₂P tripod are sensitive to the number and position of bromines. All compounds show weak Br…O interactions, mostly combined with hydrogen bonds, while Br…Br interactions are unimportant. These interactions lead to sometimes complicated chain structures.

Graphical Abstract

In the crystal structures of the bromocymantrenes [Mn(C₅H_5-nBr_n)(CO)₂(PPh₃₎] (n = 1–3) a combination of H bonds and Br…O/Br…Br interactions leads to one-dimensional molecular chains or double-chains, which are not further connected in the other dimensions.

Abstract Image

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一些溴氰菊酯的分子和晶体结构

我们获得了单溴和二溴以及两种异构三溴氰化物 [Mn(C5H5-nBrn)(CO)2(PPh3)]（n = 1-3）的晶体，并对其进行了 X 射线衍射检验。取代度对键长和键角的影响很小。但是，溴取代基和 PPh3 配体的相对取向以及环戊二烯环和 MnC2P 三角架的相对取向对溴的数量和位置很敏感。所有化合物都表现出微弱的溴......O 相互作用，其中大部分与氢键结合，而溴......溴相互作用并不重要。图形摘要在溴代锰[Mn(C5H5-nBrn)(CO)2(PPh3)]（n = 1-3）的晶体结构中，H 键和 Br...O/Br...Br 相互作用的结合导致了一维分子链或双链，它们在其他维度上没有进一步的连接。

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来源期刊

Journal of Chemical Crystallography 化学-光谱学

CiteScore

1.50

自引率

12.50%

发文量

审稿时长

6.3 months

期刊介绍： Journal of Chemical Crystallography is an international and interdisciplinary publication dedicated to the rapid dissemination of research results in the general areas of crystallography and spectroscopy. Timely research reports detail topics in crystal chemistry and physics and their relation to problems of molecular structure; structural studies of solids, liquids, gases, and solutions involving spectroscopic, spectrometric, X-ray, and electron and neutron diffraction; and theoretical studies.