In the title compound, C 9 H 10 N 2 O 2 , the tetrahydropyridine ring adopts an envelope conformation and the molecule, except for the envelope flap C and the H atoms, is essentially planar.
The 1:1 adduct of 1,3,5-trinitrobenzene with 1,2,3,4-tetrahydroquinoline
✍ Scribed by Smith, Graham ;Wermuth, Urs D. ;White, Jonathan M.
- Publisher
- International Union of Crystallography
- Year
- 2002
- Tongue
- English
- Weight
- 204 KB
- Volume
- 58
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê Disorder in main residue R factor = 0.055 wR factor = 0.174 Data-to-parameter ratio = 14.9
For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
As part of structural studies of 6-ethoxy-2,3,4-tetrahydro-2,2,4-trimethylquinoline derivatives, the crystal structure of the title compound, C 14 H 21 NO, has been investigated. The conformation of the tetrahydropyridine ring differs markedly from that of similar compounds.
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.
Single-crystal X-ray study T = 150 K Mean '(C±C) = 0.002 A Ê R factor = 0.058 wR factor = 0.124 Data-to-parameter ratio = 21.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.