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6,7-Difluoro-1,2,3,4-tetra-hydro-quin-oxa-line-5,8-dicarbonitrile.

ABSTRACT: In the title compound, C10H6F2N4, the Car-N bonds are slightly shortened with respect to a standard aniline C-N bond [1.3580?(16) and 1.3618?(16) versus 1.39?Å], thus indicating some ?-? conjgation with the electron-acceptor CN groups. The mol-ecule, except for two C atom of the ethyl-ene bridge, is nearly planar, the largest deviation of the other non-H atoms from the mean plane being 0.309?(2)?Å. The N-C-C-N torsion angle involving the ethyl-ene bridge is 50.23?(18)°. In the crystal, mol-ecules are connected by pairs of N-H?N hydrogen bonds into chains along [21-1].

SUBMITTER: Qu BH 

PROVIDER: S-EPMC3588508 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

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6,7-Difluoro-1,2,3,4-tetra-hydro-quin-oxa-line-5,8-dicarbonitrile.

Qu Bao-Hua BH   Jia Xiao-Chuan XC   Li Jing J   He Ming-Yang MY  

Acta crystallographica. Section E, Structure reports online 20130213 Pt 3

In the title compound, C10H6F2N4, the Car-N bonds are slightly shortened with respect to a standard aniline C-N bond [1.3580 (16) and 1.3618 (16) versus 1.39 Å], thus indicating some π-π conjgation with the electron-acceptor CN groups. The mol-ecule, except for two C atom of the ethyl-ene bridge, is nearly planar, the largest deviation of the other non-H atoms from the mean plane being 0.309 (2) Å. The N-C-C-N torsion angle involving the ethyl-ene bridge is 50.23 (18)°. In the crystal, mol-ecule  ...[more]

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