In the title compound, C 27 H 21 N 3 , the tetrahydrobenzene ring adopts a half-chair conformation. The orientations of the attached phenyl and tricyanophenyl substituents are determined by the sp 3 state of the tetrahydrobenzene atoms.
(Z)-3-[(1-Methylethyl)thiomethylene]-4-phenyl-1,4-pentadiene-1,1,2-tricarbonitrile
✍ Scribed by Jones, Peter G. ;Bubenitschek, Peter ;Hopf, Henning ;Kreutzer, Martin
- Publisher
- International Union of Crystallography
- Year
- 2002
- Tongue
- English
- Weight
- 188 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 178 K Mean '(C±C) = 0.005 A Ê R factor = 0.055 wR factor = 0.161 Data-to-parameter ratio = 14.4
For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 296 K Mean '(C±C) = 0.003 A Ê R factor = 0.034 wR factor = 0.099 Data-to-parameter ratio = 7.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Single-crystal X-ray study T = 296 K Mean '(C±C) = 0.003 A Ê R factor = 0.043 wR factor = 0.102 Data-to-parameter ratio = 20.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The NH unit on the exocyclic C C double bond in the title compound, C 25 H 23 N 3 O, interacts with the carbonyl group through an intramolecular hydrogen bond.
The molecule of the title compound, C 20 H 10 N 2 , displays no imposed symmetry, but is largely planar [one phenyl ring is twisted by 10.4 (1) out of the plane of the rest of the molecule]. The central C C bond length is 1.371 (3) A Ê . The molecules are linked by a weak hydrogen bond of the form C
The title compound (PBT), C 14 H 14 N 4 S 4 , possesses C 2 symmetry, with the twofold axis bisecting the central benzene ring. The two terminal 2-(5-methyl-1,3,4-thiodiazolyl)thio groups adopt a trans conformation with respect to the benzene moiety, and the dihedral angle between the two thiodiazol