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

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?? inter-actions.

SUBMITTER: El-Agrody AM

PROVIDER: S-EPMC3629574 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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

El-Agrody Ahmed M AM Al-Omar Mohamed A MA Amr Abd El-Galil E Ael-G Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20130309 Pt 4

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 conn ...[more]

PMID: 23634061

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