Crystal structure of N-(4-hy-droxy-benz-yl)acetone thio-semicarbazone

Argibay-Otero S.; Vázquez-López E.M.

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Crystal structure of N-(4-hy-droxy-benz-yl)acetone thio-semicarbazone

机译：N-（4-羟基-苯甲酰基）丙酮硫代半卡巴zone的晶体结构

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The structure of the title compound, C11H15N3OS, shows the flexibility due to the methyl-ene group at the thio-amide N atom in the side chain, resulting in the mol-ecule being non-planar. The dihedral angle between the plane of the benzene ring and that defined by the atoms of the thio-semicarbazide arm is 79.847?(4)°. In the crystal, the donor–acceptor hydrogen-bond character of the –OH group dominates the inter-molecular associations, acting as a donor in an O—H?S hydrogen bond, as well as being a double acceptor in a centrosymmetric cyclic bridging N—H?O,O′ inter-action [graph set R22(4)]. The result is a one-dimensional duplex chain structure, extending along [111]. The usual N—H?S hydrogen-bonding association common in thio-semicarbazone crystal structures is not observed.

机译：标题化合物C 11 H 15 N 3 OS的结构由于在侧链的硫代酰胺N原子上的亚甲基而显示出柔性，从而导致分子非平面。苯环平面与硫代氨基脲分子原子所定义的二面角为79.847°（4）°。在晶体中，-OH基团的供体-受体氢键特性支配着分子间的缔合，在OH-S？氢键中作为给体，并且在中心对称环状桥连中是双受体N-H2O，O'相互作用[图形集R22（4）]。结果是沿[111]延伸的一维双链结构。没有观察到在硫半碳carb晶体结构中常见的NH 3 S氢键缔合。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2017年第9期|共3页
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Argibay-Otero S.; Vázquez-López E.M.;
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Crystal structure of N-(4-hy-droxy-benz-yl)acetone thio-semicarbazone

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