Unknown

Dataset Information

0

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

Json Xml
altmetric image

Publications

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]

Similar Datasets

Unknown rac-1,2,3,4-Tetra-hydro-1,4-methano-anthracene-6,7-dicarbonitrile.
| S-EPMC3238964 | biostudies-literature
Unknown (6RS,9SR)-6,7-Dibromo-1,2,3,4-tetra-hydro-1,4-methano-anthracene.
| S-EPMC3089252 | biostudies-literature
Unknown Ortho-rhom-bic polymorph of (6,7-dimeth-oxy-1,2,3,4-tetra-hydro-isoquinolin-1-yl)methanol.
| S-EPMC3151966 | biostudies-literature
Unknown (1S,3S)-Methyl 6,7-dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinoline-3-carboxyl-ate.
| S-EPMC3120575 | biostudies-literature
Unknown [(1R,3S)-6,7-Dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinolin-3-yl]methanol 2.33-hydrate.
| S-EPMC3052049 | biostudies-literature
Unknown (1R,3S)-Methyl 2-benzyl-6,7-dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinoline-3-carboxyl-ate.
| S-EPMC2972025 | biostudies-literature
Unknown (1S,3S)-Methyl 2-benzyl-6,7-dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinoline-3-carboxyl-ate.
| S-EPMC3120496 | biostudies-literature
Unknown {(1R,3S)-2-Benzyl-6,7-dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinolin-3-yl}diphenyl-methanol.
| S-EPMC2983732 | biostudies-literature
Unknown Ethyl 4-(2,4-difluoro-phen-yl)-6-methyl-2-oxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.
| S-EPMC2969791 | biostudies-literature
Unknown (1R,3S)-N-Benzhydryl-2-benzyl-6,7-dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinoline-3-carbothio-amide.
| S-EPMC3239074 | biostudies-literature