首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >1-{(E)-(4-{(2Z)-23-Di­hydro-13-thia­zol-2-yl­idenesulfamo­yl}phen­yl)iminium­ylmeth­yl}naphthalen-2-olate
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1-{(E)-(4-{(2Z)-23-Di­hydro-13-thia­zol-2-yl­idenesulfamo­yl}phen­yl)iminium­ylmeth­yl}naphthalen-2-olate

机译:1-{(E)-(4-{((2Z)-23-Di­hydro-13-thiazzol-2-yl­idene sulfamoylyl} phenyl)imium­yl meth­yl}萘-2-olate

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摘要

In the title zwitterionic compound, C20H15N3O3S2, the 2-hy­droxy­naphthalene-1-carbaldehyde group A, the anilinic unit B and the 1,3-thia­zol-2(3H)-imine group C are each approximately planar with r.m.s. deviation of 0.0721, 0.0412 and 0.0125 Å, respectively. The dihedral angles between A/B, A/C and B/C are 24.70 (10), 79.97 (7) and 83.14 (6)°, respectively. There is an intra­molecular S(6) motif involving the imine N—H and the naphtho­late O atom. In the crystal, inversion-related mol­ecules form dimers as a result of N—H⋯N and N—H⋯O hydrogen bonds with R 2 2(8) and R 1 2(4) motifs, respectively. Weak π–π inter­actions between the benzene and naphthyl rings of inversion-related mol­ecules have ring centroid–centroid distances of 3.638 (2) and 4.041 (2) Å. A C—H⋯π inter­action occurs between the thia­zol ring and the benzene ring of an adjacent mol­ecule.
机译:在标题的两性离子化合物中,C20H15N3O3S2、2-羟基萘-1-甲醛基团A,苯胺基单元B和1,3-噻唑-2(3H)-亚胺基团C分别在r.m.s下近似为平面。偏差分别为0.0721、0.0412和0.0125Å。 A / B,A / C和B / C之间的二面角分别为24.70°(10),79.97°(7)和83.14°(6)°。存在涉及亚胺NH和萘甲酸O原子的分子内S(6)基序。在晶体中,与反转有关的分子由于具有R 2 2 (8)和R 1 2 (4)个主题。反转相关分子的苯与萘基环之间的弱π-π相互作用具有3.638(2)和4.041(2)Å的质心-质心距离。噻唑环与相邻分子的苯环之间会发生CH相互作用。

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