Crystal structure of bromido-fac-tricarbon­yl[5-(3,4,5-tri­meth­oxy­phen­yl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ2N2,N3]rhenium(I) methanol monosolvate

Kharlova M.I.; Piletska K.O.; Domasevitch K.V.; Shtemenko A.V.

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of bromido-fac-tricarbonyl[5-(3,4,5-trimethoxyphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ2N2,N3]rhenium(I) methanol monosolvate

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Crystal structure of bromido-fac-tricarbonyl[5-(3,4,5-trimethoxyphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ2N2,N3]rhenium(I) methanol monosolvate

机译：溴-fac-三羰基[5-（3,4,5-三甲氧基苯基）-3-（吡啶-2-基）-1H-1,2,4-三唑-κ2N2，N3] r（I）甲醇的晶体结构单溶剂

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In the title compound, [ReBr(C16H16N4O3)(CO)3]·CH3OH, the ReI atom adopts a distorted octahedral coordination sphere with a facial arrangement of the three carbonyl ligands. Two N atoms of the chelating 5-(3,4,5-trimethoxyphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole ligand and two carbonyl ligands define the equatorial plane of the complex, with the third carbonyl ligand and the bromide ligand in axial positions. Conventional hydrogen bonds including the methanol solvent molecules assemble the complex molecules through mutual N—H⋯O—H⋯Br links [N⋯O = 2.703 (3) Å and O⋯Br = 3.255 (2) Å] into centrosymmetric dimers, whereas weaker C—H⋯O and C—H⋯Br hydrogen bonds [C⋯O = 3.215 (3)–3.390 (4) Å and C⋯Br = 3.927 (3) Å] connect the dimers into double layers parallel to the (111) plane.

机译：在标题化合物[ReBr（C16H16N4O3）（CO）3]·CH3OH中，ReI原子采用扭曲的八面体配位球，其三个羰基配体的表面排列。螯合的5-（3,4,5-三甲氧基苯基）-3-（吡啶-2-基）-1H-1,2,4-三唑配体和两个羰基配体的两个N原子定义了该络合物的赤道面，第三羰基配体和溴化物配体在轴向位置。常规的氢键（包括甲醇溶剂分子）通过相互的N-H⋯O-H⋯Br键[N⋯O = 2.703（3）Å和O⋯Br = 3.255（2）]组装成中心对称的二聚体，而较弱的C–H⋯O和C–H⋯Br氢键[C⋯O = 3.215（3）–3.390（4）Å和C⋯Br = 3.927（3）Å]将二聚体连接成平行于（ 111）飞机。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2017年第4期|共4页
作者
Kharlova M.I.; Piletska K.O.; Domasevitch K.V.; Shtemenko A.V.;
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中图分类晶体学;
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CRYSTAL STRUCTURERHENIUM(I) CARBONYL COMPLEX5-(3,4,5-TRIMETHOXYPHENYL)-3-(PYRIDIN-2-YL)-1H-1,2,4-TRIAZOLE;

机译：晶体结构（（I）羰基络合物5-（3,4,5-三羟苯）-3-（吡啶-2-基）-1H-1,2,4-三唑;

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机译：4-（苯并[b]噻吩-2-基）-5-（3,4,5-三甲氧基苯基）-2H-1,2,3-三唑和4-（苯并[b]噻吩- 2-基）-2-甲基-5-（3,4,5-三甲氧基苯基）-2H-1,2,3-三唑
2. Crystal structure of catena-poly[[[dichloridocopper(II)]-{μ-tert-butyl N-methyl-N-[4-(6-{[4-(pyridin-2-yl-κN)-1H-1,2,3-triazol-1-yl-κN3]methyl}-1,3-benzothiazol-2-yl)phenyl]carbamato}] acetonitrile monosolvate] [J] . Pocinho A., Duhayon C., Gras E., Acta Crystallographica Section E: Crystallographic Communications . 2018,第2期

机译：链状聚[[[[dichloridocopper（II）]]-{μ-叔丁基N-甲基-N- [4-（6-{[4-（吡啶-2-基-κN）-1H-1 ，2,3-三唑-1-基-κN3]甲基} -1,3-苯并噻唑-2-基）苯基]氨基甲酸酯}]乙腈单溶剂合物]
3. Crystal structure of (±)-3-[(benzo[d][1,3]dioxol-5-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one [J] . Abonia R., Castillo J.C., De Simone C.A., Acta Crystallographica Section E: Crystallographic Communications . 2014,第12期

机译：（±）-3-[（苯并[d] [1,3]二氧杂-5-基）甲基] -2-（3,4,5-三甲氧基苯基）-1,3-噻唑烷丁-4-酮的晶体结构
4. Structure-based design synthesis of functionalized 3-(5-(s-phenyl)-4H-pyrazol-3-yl)-2H-chromen-2-one motifs and indigenous plant extracts and their antimalarial potential [C] . Olayinka Ajani, Grace Olasehinde, Titilope Dokunmu, International Conference on Applied Sciences . 2018

机译：基于结构的官能化3-（5-（S-（S-（S-（S-（S-（S-（S-（S-（S-）-4H-吡唑-3-基-2-2 -ON-1 -ONIF和土着植物提取物及其抗疟疾电位的设计合成
5. Crystal structure of bromido-fac-tricarbonyl5-(345-trimethoxyphenyl)-3-(pyridin-2-yl)-1H-124-triazole-κ2N2N3rhenium(I) methanol monosolvate [O] . Marharyta I. Kharlova, Kseniia O. Piletska, Kostiantyn V. Domasevitch, 2017

机译：溴代-fac-三碳基5-（345-三氧基苯基）-3-（吡啶-2-基）-1H-124-三唑-κ2的晶体结构ñ2N3 r（I）甲醇单溶剂化物
6. Crystal structure of bromido-fac-tricarbonyl[5-(3,4,5-trimethoxyphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ2N2,N3]rhenium(I) methanol monosolvate [O] . Marharyta I. Kharlova, Kseniia O. Piletska, Kostiantyn V. Domasevitch, 2017

机译：溴代 - 三 - 羰基[5-（3,4,5-三甲氧基苯基）-3-（吡啶-2-基）-1H-1,2,4-三唑-κ2N2，N3]铼（I）甲醇的晶体结构单溶剂

Crystal structure of bromido-fac-tricarbon­yl[5-(3,4,5-tri­meth­oxy­phen­yl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ2N2,N3]rhenium(I) methanol monosolvate

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Crystal structure of bromido-fac-tricarbonyl[5-(3,4,5-trimethoxyphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ2N2,N3]rhenium(I) methanol monosolvate