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X-ray powder diffraction data for 3-amino-5-(aminocarbonyl)-2,4,6-triiodobenzoic acid methanol solvate

Published online by Cambridge University Press:  07 June 2017

J. Maixner ,
M. Kindl  and
P. Kačer
J. Maixner*
Affiliation:
Central Laboratories, University of Chemical Technology Prague, Technická 5, 166 28 Prague 6, Czech Republic
M. Kindl
Affiliation:
Department of Organic Technology, University of Chemical Technology Prague, Technická 5, 166 28 Prague, Czech Republic
P. Kačer
Affiliation:
Department of Organic Technology, University of Chemical Technology Prague, Technická 5, 166 28 Prague, Czech Republic
*
a)Author to whom correspondence should be addressed. Electronic mail: [email protected]
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Abstract

X-ray powder diffraction data, unit-cell parameters, and space group for a C9H9I3N2O4 are presented [a = 17.000 (1) Å, b = 13.896 (1) Å, c = 12.597 (1) Å, unit-cell volume V = 2975.9 Å3, MW = 589.89, Tm (melting point) = 300(1) °C, ρc = 2.641 g cm−3, ρm = 2.66(3) g cm−3, Z = 8, space group Pbca]. All measured lines were indexed and are consistent with the Pbca space group. No detectable impurities were observed.

Keywords

X-ray powder diffractionradiocontrast agents
Type
New Diffraction Data
Information
Powder Diffraction , Volume 32 , Issue 3 , September 2017 , pp. 196 - 199
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Copyright
Copyright © International Centre for Diffraction Data 2017 

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References

Allen, F. H. (2002). “The Cambridge Structural Database: a quarter of a million crystal structures and rising,” Acta Crystallogr. B58, 380–388.Google Scholar
Bailey, A. R., Jones, M. M., Kneller, M. T., Petrov, A. N., White, D. H., Egan, O., and Rooney, F., inventors; Mallinckrodt Llc, assignee. (2013). Process for the preparation of isoimenol. United States patent US 8,445,725.Google Scholar
Boultif, A. and Louër, D. (2004). “Powder pattern indexing with the dichotomy method,” J. Appl. Crystallogr. 37, 724–731.CrossRefGoogle Scholar
de Wolff, P. M. (1968). “A simplified criterion for the reliability of a powder pattern,” J. Appl. Crystallogr. 1, 108–113.Google Scholar
ICDD (2015). Powder Diffraction File, edited by S. Kabekkodu, International Centre for Diffraction Data, 12 Campus Boulevard, Newton Square, Pennsylvania 19073–3272.Google Scholar
Smith, G. S. and Snyder, R. L. (1979). “FN: a criterion for rating powder diffraction pattern and evaluating the reliability of powder indexing,” J. Appl. Crystallogr. 12, 60–65.CrossRefGoogle Scholar
Sovak, M., Terry, R., Abramjuk, C., Faberová, V., Fiserova, M., Laznicek, M., Leuschner, J., Malinak, J., Zahradnik, P., Masner, O., and Seligson, A. (2004). “Iosimenol, a low- viscosity nonionic dimer: preclinical physicochemistry, pharmacology and pharmacokinetics,” Invest. Radiol. 39(3), 171–181.CrossRefGoogle ScholarPubMed
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