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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of (4-meth­oxy­phen­yl)[(4-meth­oxy­phen­yl)phospho­nato]dioxidophosphate(1−) 2-amino-6-benzyl-3-eth­oxy­carbon­yl-4,5,6,7-tetra­hydro­thieno[2,3-c]pyridin-6-ium
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Crystal structure of (4-meth­oxy­phen­yl)[(4-meth­oxy­phen­yl)phospho­nato]dioxidophosphate(1−) 2-amino-6-benzyl-3-eth­oxy­carbon­yl-4,5,6,7-tetra­hydro­thieno[2,3-c]pyridin-6-ium

机译:(4-甲氧基苯基)[(4-甲氧基苯基)膦酰基]二氧化磷酸(1-)2-氨基-6-苄基-3-乙氧基羰基-4,5,6,7-四氢噻吩并[2,3-c]吡啶的晶体结构-6-ium

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摘要

The asymmetric unit of the title mol­ecular salt, C17H21N2O2S+·C14H15O7P2−, comprises two cations and two anions. Each cation features an intra­molecular N—H⋯O hydrogen bond, which closes an S(6) ring; in each case the hydro­pyridine ring adopts a half-chair conformation. In the anions, the dihedral angles between the aromatic rings are 64.1 (2) and 54.9 (2)°. In each case, the diphosphate groups are close to eclipsed [C—P⋯P—C pseudo-torsion angles = 11.6 (2) and −19.3 (2)°]. One of the meth­oxy groups in each anion is disordered over two orientations in a 0.539 (18):0.461 (18) ratio in one anion and 0.82 (2):0.18 (2) in the other. In the crystal, O—H⋯O and N—H⋯O hydrogen bonds link the components into [100] chains. Numerous C—H⋯O inter­actions cross-link the chains into a three-dimensional network.
机译:标题分子盐C17H21N2O2S +·C14H15O7P2-的不对称单元包含两个阳离子和两个阴离子。每个阳离子均具有一个分子内N-H = O氢键,该键闭合S(6)环;在每种情况下,氢吡啶环均采用半椅子构象。在阴离子中,芳环之间的二面角为64.1°(2)和54.9°(2)°。在每种情况下,二磷酸酯基团都接近于偏光[C-P⋯P-C假扭转角= 11.6(2)和-19.3(2)°]。每个阴离子中的一个甲氧基基团在两个方向上无序排列,一个阴离子为0.539(18):0.461(18),另一个阴离子为0.82(2):0.18(2)。在晶体中,OH = O和N = H的氢键将组分连接到[100]链中。许多C–H = O相互作用将链交联成三维网络。

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