Single-crystal X-ray study T = 100 K Mean '(C±C) = 0.002 A Ê Disorder in main residue R factor = 0.046 wR factor = 0.131 Data-to-parameter ratio = 18.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
1,4-Diisocyano-2,5-dimethylbenzene
✍ Scribed by Zeller, Matthias ;Hunter, Allen D.
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 131 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.045 wR factor = 0.095 Data-to-parameter ratio = 21.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The ortho-disubstituted aromatic ring in the title compound, C 27 H 32 N 2 , is twisted by 76.1 (1) with respect to the isopropylsubstituted ring and by 89.3 (1) with respect to the methylsubstituted ring. The amino N atom is linked intramolecularly to the imino N by a hydrogen bond [NÁ Á ÁN = 2.686
The title compound, C 24 H 18 , possesses a twofold rotation axis, which bisects the 1,2-dimethylbenzene ring. In the crystal structure, all three benzene rings are essentially coplanar, the angle between the central and terminal rings being 3.8 (1) .