Hostname: page-component-6898cfcb55-w5hgh Total loading time: 0 Render date: 2026-11-12T02:58:13.963Z Has data issue: false hasContentIssue false
  • English
  • Français

Powder X-ray data for adenosine C10H13N5O4

Published online by Cambridge University Press:  10 January 2013

Ruggero Caminiti,
Giancarlo Ortaggi,
Raffaele Antonio Mazzei,
Paolo Ballirano and
Rita Rizzi
Ruggero Caminiti*
Affiliation:
Dipartimento di Chimica, Istituto Nazionale per la Fisica della MateriaUniversità di Roma “La Sapienza,” Piazzale Aldo Moro 5, Roma, I-00185, Italy
Giancarlo Ortaggi
Affiliation:
Università di Roma “La Sapienza,” Piazzale Aldo Moro 5, Roma, I-00185, Italy
Raffaele Antonio Mazzei
Affiliation:
Università di Roma “La Sapienza,” Piazzale Aldo Moro 5, Roma, I-00185, Italy
Paolo Ballirano
Affiliation:
Dipartimento di Scienze della Terra, Università di Roma “La Sapienza,” Piazzale Aldo Moro 5, Roma, I-00185, Italy
Rita Rizzi
Affiliation:
TRRE snc, Via Larga 47, Bologna, I-40138, Italy
*
a)Author to whom all correspondence should be addressed; electronic mail: r.caminiti@caspur.it
Get access

Abstract

New powder X-ray diffraction data of adenosine C10H13N5O4 were reported: cell parameters area=4.8386(4) Å, b=10.2919(4) Å, c=11.8555(4) Å, β=99.298(5)°, volume 582.63(4)Å for the monoclinic space group P21. The strongest lines are: 7.723 (100), 5.085 (50), 5.851 (45), 4.710 (11), 3.881 (10), 3.899 (9), 3.292 (9), and 3.261 (9). Reported intensities are validated by Rietveld analysis. The data consist of measured positions and intensities and cover an angular range up to 75° 2θ and are significantly better than PDF 35-1977. Experimental, calculated, and difference patterns are also reported.

Keywords

adenosineC10H13N5O4,Rietveld refinementpowder diffraction

Information

Type
New Diffraction Data
Information
Powder Diffraction , Volume 15 , Issue 2 , June 2000, pp. 112 - 115
Copyright
Copyright © Cambridge University Press 2000

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

Article purchase

Temporarily unavailable

References

Ballirano, P., Caminiti, R., Coiro, V., Mancini, G., Maras, A., and Sadun, C. (1998). “Single crystal structure determination of cetylpyridiniumammonium bromide and Rietveld structure determination of cetylquinuclidinium bromide,” Z. Kristallogr. 213, 123–130.CrossRefGoogle Scholar
Ballirano, P., Caminiti, R., Ercolani, C., Maras, A., and Orrù, M. A. (1999). “X-ray powder diffraction structure reinvestigation of α and β forms of cobalt phthalocynaine and kinetics of the α→β phase transition,” J. Am. Chem. Soc. 120,12 798–12 807.Google Scholar
Bunge, H.-J. (1982). Texture Analysis in Materials Science (Butterworth, London).Google Scholar
Caminiti, R., Ortaggi, G., Mazzei, R. A., Ballirano, P., Rizzi, R., and Tommasini, E. (2000). “Powder X-ray data for melatonin C 13H 16N 2O 2,”Powder Diff. 15, 108–111.CrossRefGoogle Scholar
Costa, U., and Ballirano, P. (2000). “Improved powder X-ray data for the cement phase Ca 12Al 14O 32F 2(C11A7f ),” Powder Diff. (in press).Google Scholar
de Wolff, P. M. (1968). “A simplified criterion for the reliability of a powder-pattern indexing,” J. Appl. Crystallogr. 1, 108.CrossRefGoogle Scholar
Finger, L. W., Cox, D. E., and Jephcoat, A. P. (1994). “A correction for powder diffraction peak asymmetry due to axial divergence,” J. Appl. Crystallogr. 27, 892–900.CrossRefGoogle Scholar
Garvey, R. (1986). “LSUCRIPC, Least square unit-cell refinement with indexing on the personal computer,” Powder Diffr. 1, 89.Google Scholar
Jeffrey, G. A., Maluszynska, H., and Mitra, J. (1985). “Hydrogen bonding in nucleosides and nucleotides,” Int. J. Biol. Macromol. 7, 336–348.CrossRefGoogle Scholar
Lai, T. F., and Marsh, R. E. (1972). “The crystal structure of adenosine,” Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. 28, 1982–1989.CrossRefGoogle Scholar
Larson, A. C., and Von Dreele, R. B. (1985). “GSAS: General Structure Analysis System,” LAUR 86-748, Los Alamos National Laboratory, Copyright, 1985–1994, The Regent of the University of California.Google Scholar
Smith, G. S., and Snyder, R. L. (1979). “FN: A criterion for rating powder diffraction patterns and evaluating the reliability of powder-pattern indexing,” J. Appl. Crystallogr. 12, 60.CrossRefGoogle Scholar
Tarzia, G. (1998). “Melatonina ‘coniugata’ un esame obiettivo della situazione,” La Chimica e l’Industria 80, 845.Google Scholar
Von Dreele, R. B. (1997). “Quantitative texture analysis by Rietveld refinement,” J. Appl. Crystallogr. 30, 517–525.CrossRefGoogle Scholar
Wilson, A. J. C. (1963). Mathematical theory of X-ray Powder Diffractometry, (Philips Technical Library, Eindhoven), pp. 128.Google Scholar
Young, R. A. (ed.) (1993). The Rietveld Method (Oxford Science, New York), p. 298.Google Scholar