Crystal structures and spectroscopic properties of ester amide and diamide of squaric acid with prolinamide

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 72, Issue 3, 2009, Pages 502-509

  Kolev, Tsonko ^a   Seidel, Rüdiger W ^b   Mayer Figge, Heike ^b   Spiteller, Michael ^a   Sheldrick, William S ^b   Koleva, Bojidarka B ^b  

^a TU DORTMUND UNIVERSITY   (Germany)

^b RUHR UNIVERSITY BOCHUM   (Germany)

Author keywords

1H NMR data; Crystal structures; HPLC ESI MS MS; Prolinamide diamide of squaric acid; Prolinamide ester amide of squaric acid diethyl ester; Vibrational analysis and solid state IR LD spectroscopy

Indexed keywords

AMIDES; AMINES; AMINO ACIDS; BINDING SITES; BOND LENGTH; ESTERIFICATION; ESTERS; HYDROGEN; HYDROGEN BONDS; LADDER NETWORKS; MAGNETIC PROPERTIES; MOLECULES; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OPTICAL CORRELATION; ORGANIC ACIDS; ORGANIC COMPOUNDS; SUPRAMOLECULAR CHEMISTRY; SYNTHESIS (CHEMICAL);

1H NMR DATA; CRYSTAL STRUCTURES; HPLC ESI MS/MS; PROLINAMIDE DIAMIDE OF SQUARIC ACID; PROLINAMIDE ESTER AMIDE OF SQUARIC ACID DIETHYL ESTER; VIBRATIONAL ANALYSIS AND SOLID-STATE IR-LD SPECTROSCOPY;

CRYSTAL STRUCTURE;

CYCLOBUTANE DERIVATIVE; DIAMIDE; DRUG DERIVATIVE; ESTER; PROLINAMIDE; PROLINE; SQUARIC ACID; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; CRYSTALLOGRAPHY; DIFFERENTIAL SCANNING CALORIMETRY; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; HYDROGEN BOND; INFRARED SPECTROPHOTOMETRY; MOLECULAR WEIGHT; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEIN CONFORMATION; PROTEIN SECONDARY STRUCTURE; TANDEM MASS SPECTROMETRY; THERMOGRAVIMETRY; X RAY DIFFRACTION;

CALORIMETRY, DIFFERENTIAL SCANNING; CHROMATOGRAPHY, HIGH PRESSURE LIQUID; CRYSTALLOGRAPHY; CYCLOBUTANES; DIAMIDE; ESTERS; HYDROGEN BONDING; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; MOLECULAR WEIGHT; PROLINE; PROTEIN CONFORMATION; PROTEIN STRUCTURE, SECONDARY; SPECTROPHOTOMETRY, INFRARED; TANDEM MASS SPECTROMETRY; THERMOGRAVIMETRY; WATER; X-RAY DIFFRACTION;

EID: 58749108630     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2008.10.060     Document Type: Article

References (25)

1. Bosshard Ch., Hulliger J., Florsheimer M., and Gunter P. Organic Nonlinear Optical Materials; Advances in Nonlinear Optics 1 (2001), Gordon and Breach Science Publishers SA, Postfach, Basel
2. Chemla D., and Zyss J. In: Chemla D., and Zyss J. (Eds). Nonlinear Optical Properties of Organic Molecules and Crystals vol. 1 (1987), Academic Press, New York 23-187
3. Gilli G., Bertolasi V., Gilli P., and Ferretti V. Acta Crystallogr. B57 (2001) 859
4. Bertolasi V., Gilli P., Ferretti V., and Gilli G. Acta Crystallogr. B57 (2001) 591
5. Karle I., Ranganathan D., and Haridas V. J. Am. Chem. Soc. 118 (1996) 7128
6. Mathew S., Paul G., Shivasankar K., Choudhury A., and Rao C.C.R. J. Mol. Struct. 641 (2002) 263
7. Sheldrick G.M. SHELXS-97. Program for Crystal Structure Solution (1997), University of Gottingen, Germany
8. Sheldrick G.M. SHELXL-97. Program for Crystal Structure Solution (1997), University of Gottingen, Germany
9. Ivanova B.B., Arnaudov M.G., and Bontchev P.R. Spectrochim. Acta 60A (2004) 855
10. Ivanova B.B., Tsalev D.L., and Arnaudov M.G. Talanta 69 (2006) 822
11. Ivanova B.B., Simeonov V.D., Arnaudov M.G., and Tsalev D.L. Spectrochim. Acta 67A. (2007) 66
12. Koleva B., Kolev T., Spassov T., Simeonov V., and Spiteller M. J. Incl. Phenom. 61 (2008) 319-333
13. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Zakrzewski V.G., Montgomery Jr. J.A., Stratmann R.E., Burant J.C., Dapprich S., Millam J.M., Daniels A.D., Kudin K.N., Strain M.C., Farkas O., Tomasi J., Barone V., Cossi M., Cammi R., Mennucci B., Pomelli C., Adamo C., Clifford S., Ochterski J., Petersson G.A., Ayala P.Y., Cui Q., Morokuma K., Salvador P., Dannenberg J.J., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Cioslowski J., Ortiz J.V., Baboul A.G., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komáromi I., Gomperts R., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Challacombe M., Gill P.M.W., Johnson B., Chen W., Wong M.W., Andres J.L., Gonzalez C., Head-Gordon M., Replogle E.S., and Pople J.A. Gaussian'98 (1998), Gaussian, Inc., Pittsburgh, PA
14. Head-Gordon T., Head-Gordon M., Frisch M.J., Brooks III Ch., and Pople J.A. J. Am. Chem. Soc. 113 (1991) 5989
15. Vargas R., Garza J., Hay B., and Dixon D. J. Phys. Chem. A 106 (2002) 3213
16. Ramachandran G.N., and Sasisekharan V. Adv. Protein Chem. 23 (1969) 283
17. Zimmerman S., Pottle M., Nemethy G., and Scherana H. Macromolecules 10 (1977) 1
18. Kolev T., Petrova R., and Spiteller M. Acta Cryst. E60 (2004) 0634
19. Kolev T., Cherneva E., Spiteller M., Sheldrick W.S., and Mayer-Figge H. Acta Crystall. E62 (2006) 01390
20. Kolev T., Koleva B., Cherneva E., Spiteller M., Sheldrick W.S., and Mayer-Figge H. Struct. Chem. 17 (2006) 631
21. Kimberly A., Kuhls A., Charla A., Centrone A., and Tubergen M.J. J. Am. Chem. Soc. 120 (1998) 10194
22. Kojic-Prodic B., Antolic S., Kveder M., Zigrovic I., Kidric J., and Horvat S. t Croat. Chem. Acta 72 (1999) 72
23. Eckle E., and Stezowski J.J. Eur. Cryst. Meeting 8 (1983) 10
24. Benedetti E., di Blasio B., Pavone V., Pedone C., Felix A., and Goodman M. Biopolymers 20 (1981) 283
25. Roeges N.P.G. A Guide to the Complete Interpretation of Infrared Spectra of Organic Structure (1993), Wiley