4,4′,5,5′-Tetramethyltetrathiafulvalene–1,4-dinitrobenzene (1/1)
✍ Scribed by Batsanov, Andrei S. ;Lyubchik, Svetlana B.
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 217 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Tetramethyltetrathiafulvalene and 1,4-dinitrobenzene co-crystallize in a mixed-stack 1:1 complex, C 10 H 12 S 4 ÁC 6 H 4 N 2 O 4 , without appreciable charge transfer. Both molecules lie on the same crystallographic twofold axis.
📜 SIMILAR VOLUMES
The title molecule, C~14~H~12~O~4~S~8~, has a U-shaped conformation and its crystal structure feaures short intermolecular S...S contacts.
Single-crystal X-ray study T = 223 K Mean (C-C) = 0.008 A R factor = 0.045 wR factor = 0.110 Data-to-parameter ratio = 32.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
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 = 297 K Mean '(C±C) = 0.013 A Ê R factor = 0.045 wR factor = 0.125 Data-to-parameter ratio = 14.1 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) = 0.019 A Ê R factor = 0.099 wR factor = 0.189 Data-to-parameter ratio = 19.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.