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1,3-双(4-氟苯基)-N,N'-(丙烷-1,3-二亚基)二羟基胺

1,3-Bis(4-fluoro-phen-yl)-N,N'-(propane-1,3-diyl-idene)dihydroxyl-amine.

作者信息

Samshuddin S, Butcher Ray J, Akkurt Mehmet, Narayana B, Yathirajan H S, Sarojini B K

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o1954-5. doi: 10.1107/S1600536811026547. Epub 2011 Jul 9.

Abstract

The title compound, C(15)H(12)F(2)N(2)O(2), crystallizes with two mol-ecules (A and B) in the asymmetric unit. Both aromatic rings of both mol-ecules are disordered over two orientations [occupancy ratios of 0.768 (3):0.232 (3) and 0.770 (3):0.230 (3) for mol-ecule A and 0.789 (3):0.211 (3) and 0.789 (3):0.211 (3) for mol-ecule B]. The dihedral angles between the planes of the major and minor components of the disordered aromatic rings are 72.0 (4) and 71.2 (4)° for mol-ecule A, and 70.2 (4) and 71.5 (2)° for mol-ecule B. In the crystal, both mol-ecules form inversion dimers with R(2) (2)(6) ring motifs via pairs of inter-molecular O-H⋯N hydrogen bonds. The dimers are linked, forming zigzag C(7) chains along the c axis. Weak C-H⋯π inter-actions help to consolidate the packing.

摘要

标题化合物C(15)H(12)F(2)N(2)O(2)在不对称单元中以两个分子(A和B)结晶。两个分子的两个芳环均在两种取向上无序[分子A的占有率比为0.768 (3):0.232 (3)和0.770 (3):0.230 (3),分子B的占有率比为0.789 (3):0.211 (3)和0.789 (3):0.211 (3)]。分子A中无序芳环的主要和次要组分平面之间的二面角为72.0 (4)°和71.2 (4)°,分子B中为70.2 (4)°和71.5 (2)°。在晶体中,两个分子通过分子间O-H⋯N氢键对形成具有R(2) (2)(6)环 motif的反演二聚体。这些二聚体相连,沿c轴形成锯齿状C(7)链。弱C-H⋯π相互作用有助于巩固堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/845b/3212338/f2456ed907b6/e-67-o1954-fig1.jpg

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