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3-[(E)-(吡啶-3-基亚氨基)-甲基]苯酚

3-[(E)-(Pyridin-3-yl-imino)-meth-yl]phenol.

作者信息

Tahir M Nawaz, Ali Akbar, Umar M Naveed, Hussain Ishtiaq, Shad Hazoor Ahmad

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2072. doi: 10.1107/S1600536812025822. Epub 2012 Jun 13.

DOI:10.1107/S1600536812025822
PMID:22798754
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3393889/
Abstract

Two independent mol-ecules are present in the asymmetric unit of the title compound, C(12)H(10)N(2)O, in which the 3-hy-droxy-benzaldehyde and the pyridin-3-amine units are almost planar [r.m.s. deviations of 0.0236 and 0.0116Å, respectively, in one mol-ecule and 0.0245 and 0.0162Å, respectively, in the other] and are oriented at dihedral angles of 7.21 (7) and 14.77 (7)°. In the crystal, mol-ecules of the same type form inversion dimers via pairs of O-H⋯N hydrogen bonds, forming R(2) (2)(20) ring motifs. There exist π-π inter-actions between the benzene and pyridine rings of molecules of the same type with centroid-centroid distances of 3.7127 (10) and 3.8439 (10) Å.

摘要

标题化合物C(12)H(10)N(2)O的不对称单元中存在两个独立分子,其中3-羟基苯甲醛和吡啶-3-胺单元几乎呈平面状[在一个分子中,均方根偏差分别为0.0236和0.0116Å,在另一个分子中分别为0.0245和0.0162Å],且二者以7.21(7)°和14.77(7)°的二面角取向。在晶体中,同种类型的分子通过O-H⋯N氢键对形成反演二聚体,形成R(2)(2)(20)环 motif。同种类型分子的苯环和吡啶环之间存在π-π相互作用,质心间距为3.7127(10)和3.8439(10)Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5e0c/3393889/2d78412f2fb1/e-68-o2072-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5e0c/3393889/95b4fe8eab99/e-68-o2072-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5e0c/3393889/2d78412f2fb1/e-68-o2072-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5e0c/3393889/95b4fe8eab99/e-68-o2072-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5e0c/3393889/2d78412f2fb1/e-68-o2072-fig2.jpg

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