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The molecular structure of the 4-nitrophenyl[bis(ethylsulfonyl)]methane and its response in the formation of the complexes with the strong organic bases

✍ Scribed by Iwona Binkowska; Małgorzata Ratajczak-Sitarz; Andrzej Katrusiak; Arnold Jarczewski

Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
385 KB
Volume
917
Category
Article
ISSN
0022-2860

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✦ Synopsis

Intermolecular interactions in a synthesized C-acid, 4-nitrophenyl[bis(ethylsulfonyl)]methane have been analysed and its structure determined by X-ray diffraction. The molecular packing in the crystal is governed by CH. . .O. The dimensions of the hydrogen bonds and the shortest non-bonded distances are also determined. The possible implications in the formation of the hydrogen bonded complexes with the strong organic bases are also discussed.

📜 SIMILAR VOLUMES

Ab initio prediction of the structure an
Ab initio prediction of the structure and energetics of the complexes of 4-nitrophenyl[bis(methylsulfonyl)]methane and TBD base in vacuo and acetonitrile solvent
✍ I. Binkowska; J. Koput; A. Jarczewski 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 303 KB

The structure and energetics of the complexes of 4-nitrophenyl[bis(methylsulfonyl)]methane (I) with 1,5,7-triazabicyclo[4.4.0]dec-5ene (TBD) in vacuo and in acetonitrile solvent are predicted at the MP2/cc-pVDZ level of theory. In the gas phase, the energies of possible ion-pair complexes are calcul