首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of 4-({(1E,2E)-3-[3-(4-fluoro­phen­yl)-1-isopropyl-1H-indol-2-yl]allyl­idene}amino)-1H-1,2,4-triazole-5(4H)-thione
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Crystal structure of 4-({(1E,2E)-3-[3-(4-fluoro­phen­yl)-1-isopropyl-1H-indol-2-yl]allyl­idene}amino)-1H-1,2,4-triazole-5(4H)-thione

机译:4-({(1E,2E)-3- [3-(4-氟苯基)-1-异丙基-1H-吲哚-2-基]亚烯基}氨基)-1H-1,2,4-三唑的晶体结构-5(4H)-硫酮

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摘要

The asymmetric unit of the titled compound, C22H20FN5S, comprises two independent mol­ecules (A and B), both of which have a trans conformation with respect to the methene C=C [1.342 (2) and 1.335 (2) Å] and the acyclic N=C [1.283 (2) and 1.281 (2) Å] bonds. In mol­ecule A, the triazole ring makes dihedral angles of 55.01 (12) and 18.17 (9)° with the benzene and indole rings, respectively. The corresponding dihedral angles for mol­ecule B are 54.54 (11) and 14.60 (10)°, respectively. In the crystal, mol­ecules are consolidated into –A–B–A–B– chains along [010] via N—H⋯N hydrogen bonds. The chains are further linked into layers parallel to the ac plane via π–π inter­actions involving inversion-related triazole rings [centroid–centroid distances = 3.3436 (11)–3.4792 (13) Å].
机译:标题化合物C22H20FN5S的不对称单元包含两个独立的分子(A和B),两个分子均相对于亚甲基C = C [1.342(2)和1.335(2)and]具有反式构象,且无环N = C [1.283(2)和1.281(2)]键。在分子A中,三唑环与苯环和吲哚的二面角分别为55.01(12)和18.179(9)°。分子B的相应二面角分别为54.54(11)和14.60(10)°。在晶体中,分子通过N–H⋯N氢键沿[010]固结为–AB–AB–B–链。这些链还通过涉及反型三唑环的π-π相互作用进一步链接成与ac平面平行的层[质心-质心距离= 3.3436(11)–3.4792(13)Å]。

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