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2-(4-氟苄叉)丙二腈:单斜晶多晶型物。

2-(4-Fluoro-benzyl-idene)propane-dinitrile: monoclinic polymorph.

作者信息

El-Agrody Ahmed M, Al-Omar Mohamed A, Amr Abd El-Galil E, Ng Seik Weng, Tiekink Edward R T

机构信息

Chemistry Department, Faculty of Science, King Khalid University, Abha 61413, PO Box 9004, Saudi Arabia ; Chemistry Department, Faculty of Science, Al-Azhar University, Nasr City, Cairo 11884, Egypt.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 9;69(Pt 4):o515. doi: 10.1107/S1600536813006235. Print 2013 Apr 1.

Abstract

The title compound, C10H5FN2, is a monoclinic (P21/c) polymorph of the previously reported triclinic (P-1) form [Anti-pin et al. (2003 ▶). J. Mol. Struct. 650, 1-20]. The 13 non-H atoms in the title polymorph are almost coplanar (r.m.s. deviation = 0.020 Å); a small twist between the fluoro-benzene and dinitrile groups [C-C-C-C torsion angle = 175.49 (16)°] is evident in the triclinic polymorph. In the crystal, C-H⋯N inter-actions lead to supra-molecular layers parallel to (-101); these are connected by C-F⋯π inter-actions.

摘要

标题化合物C₁₀H₅FN₂是先前报道的三斜晶系(P-1)形式[Anti-pin等人(2003年▶)。《分子结构杂志》650,1-20]的单斜晶系(P21/c)多晶型物。标题多晶型物中的13个非H原子几乎共面(均方根偏差=0.020 Å);在三斜晶系多晶型物中,氟苯和二腈基团之间存在小的扭转[C-C-C-C扭转角=175.49(16)°]。在晶体中,C-H⋯N相互作用导致形成平行于(-101)的超分子层;这些超分子层通过C-F⋯π相互作用相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/66e9/3629574/99670d21e9b3/e-69-0o515-fig1.jpg

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