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Crystal Structure of (E)-2-(3,3,3-tri-fluoro-prop-1-en-1-yl)aniline.

ABSTRACT: The mol-ecule of the title compound, C9H8F3N, adopts an E configuration with respect to the C=C double bond. The dihedral angle between the benzene ring and the prop-1-enyl group is 25.4?(3)°. In the crystal, mol-ecules are linked via pairs of N-H?F hydrogen bonds into inversion dimers with an R 2 2(16) ring motif. The dimers are linked by C-H?N hydrogen bonds, forming a ribbon structure along the b-axis direction. The ribbons are linked by N-H?? and C-H?? inter-actions, generating a three-dimensional network.

SUBMITTER: Kubono K

PROVIDER: S-EPMC6176427 | biostudies-literature | 2018 Oct

REPOSITORIES: biostudies-literature

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Crystal Structure of (E)-2-(3,3,3-tri-fluoro-prop-1-en-1-yl)aniline.

Kubono Koji K Tani Keita K Omote Masaaki M Ogawa Futa F Matsumoto Taisuke T

Acta crystallographica. Section E, Crystallographic communications 20180918 Pt 10

The mol-ecule of the title compound, C9H8F3N, adopts an E configuration with respect to the C=C double bond. The dihedral angle between the benzene ring and the prop-1-enyl group is 25.4 (3)°. In the crystal, mol-ecules are linked via pairs of N-H⋯F hydrogen bonds into inversion dimers with an R 2 2(16) ring motif. The dimers are linked by C-H⋯N hydrogen bonds, forming a ribbon structure along the b-axis direction ...[more]

PMID: 30319798

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