首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >2-Phenyl­acetic acid–3-{(E)-2-(E)-pyridin-3-yl­methyl­idenehydrazin-1-ylidenemeth­yl}pyridine (2/1)
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2-Phenyl­acetic acid–3-{(E)-2-(E)-pyridin-3-yl­methyl­idenehydrazin-1-ylidenemeth­yl}pyridine (2/1)

机译:2-苯基乙酸– 3-{(E)-2-(E)-吡啶-3-基亚甲基肼基-1-亚甲基}吡啶(2/1)

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摘要

The asymmetric unit of the title 1:2 adduct, C12H10N4·2C8H8O2, comprises a single mol­ecule of 2-phenyl­acetic acid and half a mol­ecule of 3-pyridine­aldazine; the latter is completed by crystallographic inversion symmetry. In the crystal, mol­ecules are connected into a three-component aggregate via O—H⋯N hydrogen bonds. As the carboxyl group lies above the plane through the benzene ring to which it is attached [C—C—C—C = 62.24 (17)°] and the 4-pyridine­aldazine mol­ecule is almost planar (r.m.s. deviation of the 16 non-H atoms = 0.027 Å), the overall shape of the aggregate is that of a flattened extended chair. Layers of these aggregates are connected by C—H⋯O and C—H⋯π inter­actions and stack parallel to (220).
机译:标题1:2加合物的不对称单元,C12H10N4·2C8H8O2,包含一个单分子的2-苯基­乙酸和一个半分子的3-吡啶­醛。后者通过晶体学反演对称性完成。在晶体中,分子通过OHN氢键连接成三组分聚集体。由于羧基位于通过与其相连的苯环的平面上方[CC-CC = 62.24(17)°],而4-吡啶哒嗪分子几乎是平面的(16个非H原子的均方根偏差)原子= 0.027Å),则骨料的整体形状是展平的延伸椅子的形状。这些聚集体的各层通过CHH和CHHπ相互作用连接,并与(220)平行堆叠。

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