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一个带有并合的 1,2,5-噻二唑环和甲硫基的不对称四硫富瓦烯。

An unsymmetrical tetrathiafulvalene with a fused 1,2,5-thiadiazole ring and methylthio groups.

机构信息

Institute for Molecular Science, Myodaiji, Okazaki 444-8585, Japan.

出版信息

Molecules. 2009 Oct 23;14(10):4266-74. doi: 10.3390/molecules14104266.

DOI:10.3390/molecules14104266
PMID:19924062
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6255424/
Abstract

The title compound, 5-(4,5-dimethylthio-1,3-dithiol-2-ylidene)-1,3-diaza-2,4,6-trithiapentalene (4,5-dimethylthio [1,2,5]thiadiazolotetrathiafulvalene, molecular formula C(8)H(6)N(2)S(7)) crystallizes in the P2(1)/n space group with one molecule in the asymmetric unit. The molecular framework is planar within 0.19 A. The molecules form a head-to-tail type of pi-stacking dimer with an interplanar distance is 3.50(1) A, where methylthio groups face away from each other. The molecules are also linked by weak intermolecular S...S heteroatom interactions [3.497(1) and 3.572(1) A] to construct a unique one-dimensional molecular tape structure.

摘要

标题化合物，5-（4,5-二甲基硫代-1,3-二硫杂-2-亚基）-1,3-二氮杂-2,4,6-三噻戊二烯（4,5-二甲基硫代[1,2,5]噻二唑并四硫富瓦烯，分子式 C(8)H(6)N(2)S(7)）在 P2(1)/n 空间群中结晶，每个不对称单位中有一个分子。分子骨架在 0.19 A 内是平面的。分子形成了头对头的 π-堆积二聚体，其层间距离为 3.50(1) A，其中甲基硫代基团彼此背离。分子还通过弱的分子间 S...S 杂原子相互作用[3.497(1)和 3.572(1) A]连接，构建了独特的一维分子带结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7562/6255424/4dd565f35d4c/molecules-14-04266-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7562/6255424/7fa7012e57ce/molecules-14-04266-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7562/6255424/9c5bd00855fb/molecules-14-04266-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7562/6255424/22285252b76b/molecules-14-04266-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7562/6255424/1b849cfcdf0b/molecules-14-04266-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7562/6255424/c18d0c244271/molecules-14-04266-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7562/6255424/00d514019730/molecules-14-04266-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7562/6255424/4dd565f35d4c/molecules-14-04266-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7562/6255424/7fa7012e57ce/molecules-14-04266-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7562/6255424/9c5bd00855fb/molecules-14-04266-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7562/6255424/22285252b76b/molecules-14-04266-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7562/6255424/1b849cfcdf0b/molecules-14-04266-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7562/6255424/c18d0c244271/molecules-14-04266-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7562/6255424/00d514019730/molecules-14-04266-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7562/6255424/4dd565f35d4c/molecules-14-04266-g007.jpg

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