The first crystal structures of six- and seven-membered tellurium- and nitrogen-containing (Te—N) heterocycles: 2H-1,4-benzotellurazin-3(4H)-one and 2,3-dihydro-1,5-benzotellurazepin-4(5H)-one

Myers Joshua P; Fronczek Frank R; Junk Thomas

首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >The first crystal structures of six- and seven-membered tellurium- and nitrogen-containing (Te—N) heterocycles: 2H-1,4-benzotellurazin-3(4H)-one and 2,3-dihydro-1,5-benzotellurazepin-4(5H)-one

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The first crystal structures of six- and seven-membered tellurium- and nitrogen-containing (Te—N) heterocycles: 2H-1,4-benzotellurazin-3(4H)-one and 2,3-dihydro-1,5-benzotellurazepin-4(5H)-one

机译：六元和七元碲和氮的（Te-N）杂环的第一个晶体结构：2H-1,4-苯并四氮杂-3-3（4H）-一个和2,3-二氢-1,5-苯并二氮杂pin -4（5H）-一

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There is a paucity of data concerning the structures of six- and seven-membered tellurium- and nitrogen-containing (Te—N) heterocycles. The title compounds, C8H7NOTe, (I), and C9H9NOTe, (II), represent the first structurally characterized members of their respective classes. Both crystallize with two independent molecules in the asymmetric unit. When compared to their sulfur analogs, they exhibit slightly greater deviations from planarity to accommodate the larger chalcogenide atom, with (II) adopting a pronounced twist-boat conformation. The C—Te—C angles of 85.49?(15) and 85.89?(15)° for the two independent molecules of (I) were found to be somewhat smaller than those of 97.4?(2) and 97.77?(19)° for the two independent molecules of (II). The C—Te bond lengths [2.109?(4)–2.158?(5)??] are in good agreement with those predicted by the covalent radii. Intermolecular N—H...O hydrogen bonding in (I) forms centrosymmetric R22(8) dimers, while that in (II) forms chains. In addition, intermolecular Te...O contacts [3.159?(3)–3.200?(3)??] exist in (I).

机译：关于六元和七元碲和氮（Te-N）杂环的结构，数据很少。标题化合物C8H7NOTe（I）和C9H9NOTe（II）代表其各自类别的第一个结构表征成员。两者均以不对称单元中的两个独立分子结晶。与它们的硫类似物相比，它们具有更大的平面度偏差，可容纳更大的硫属元素化物原子，（II）采用明显的扭转舟构象。发现两个独立分子（I）的C-Te-C角分别为85.49？（15）和85.89？（15）°略小于97.4？（2）和97.77？（19）° （II）的两个独立分子。 C-Te键的长度[2.109？（4）–2.158？（5）??]与共价半径预测的长度吻合良好。（I）中的分子间NH-O氢键形成中心对称的R22（8）二聚体，而（II）中的分子间形成链。另外，（I）中存在分子间的Te ... O接触[3.159？（3）–3.200？（3）??]。

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《Acta crystallographica. Section C, Structural chemistry.》 |2016年第1期|共5页
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Myers Joshua P; Fronczek Frank R; Junk Thomas;
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中图分类晶体学;
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six-membered Te—N heterocycle; seven-membered Te—N heterocycle; tellurium heterocycles; 1; 4-benzotellurazinone; 1; 5-benzotellurazepinone; hydrogen bonding; crystal structure;

机译：六元Te-N杂环;七元Te-N杂环;碲杂环;1;4-苯并四氢呋喃酮;1;5-苯并四氢呋喃酮;氢键;晶体结构;

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机译：六元和七元碲和氮的（Te-N）杂环的第一个晶体结构：2H-1,4-苯并四氮杂-3-3（4H）-一个和2,3-二氢-1,5-苯并二氮杂pin -4（5H）-一
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The first crystal structures of six- and seven-membered tellurium- and nitrogen-containing (Te—N) heterocycles: 2H-1,4-benzotellurazin-3(4H)-one and 2,3-dihydro-1,5-benzotellurazepin-4(5H)-one

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