Solid-state structure of N-o-, N-m-, and N-p-nitrophenyl-2,3,4-tri-O-acetyl-β-d-xylopyranosylamines

Tomasz Gubica , Dorota K. Stępień , Andrzej Temeriusz , Katarzyna Paradowska , Ewa Głowacka , Michał K. Cyrański , Andrzej Ostrowski

Abstract

Comprehensive structural analyses were performed for N-o-, N-m-, and N-p-nitrophenyl-2,3,4-tri-O-acetyl-β-d-xylopyranosylamines. Single-crystal X-ray diffraction data were collected and revealed that one compound under investigation undergoes temperature-dependent polymorph transitions (crystal structures of three polymorphs were obtained). The number of molecules in the independent part of the crystal unit cells was in agreement with the number of resonances in solid-state 13C NMR spectra. Therefore, the compounds exist as single polymorphs at room temperature, as confirmed by powder X-ray diffraction measurements. Significant differences in 13C chemical shifts between solution and solid-state NMR for selected carbon atoms confirmed the existence of intra- and/or intermolecular interactions.
Author Tomasz Gubica
Tomasz Gubica,,
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, Dorota K. Stępień
Dorota K. Stępień,,
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, Andrzej Temeriusz
Andrzej Temeriusz,,
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, Katarzyna Paradowska
Katarzyna Paradowska,,
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, Ewa Głowacka
Ewa Głowacka,,
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, Michał K. Cyrański
Michał K. Cyrański,,
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, Andrzej Ostrowski (FC / CICSST)
Andrzej Ostrowski,,
- Chair Of Inorganic Chemistry And Solid State Technology
Journal seriesCarbohydrate Research, ISSN 0008-6215, (A 25 pkt)
Issue year2011
Vol346
No15
Pages2491-2498
Keywords in EnglishCrystal structure, DFT calculations, Solid-state NMR, X-ray diffraction, Xylosylamines
DOIDOI:10.1016/j.carres.2011.08.025
URL http://www.sciencedirect.com/science/article/pii/S0008621511004204
Score (nominal)25
Publication indicators WoS Impact Factor: 2011 = 2.332 (2) - 2011=2.386 (5)
Citation count*1 (2015-05-07)
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