Crystal structures of the hydration states of pigment red 57:1

Angewandte Chemie - International Edition

Volumn 51, Issue 19, 2012, Pages 4735-4738

  Bekö, Sándor L ^a   Hammer, Sonja M ^a   Schmidt, Martin U ^a  

^a GOETHE UNIVERSITY   (Germany)

Author keywords

dyes pigments; Rietveld refinement; structure determination; X ray powder diffraction

Indexed keywords

DYES/PIGMENTS; HYDRATION STATE; STRUCTURE DETERMINATION;

DIFFRACTION; RIETVELD REFINEMENT; X RAY POWDER DIFFRACTION;

HYDRATION;

EID: 84860720122     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201109082     Document Type: Article

References (26)

1. W. Herbst, K. Hunger, Industrial Organic Pigments, 3 rd ed., Wiley-VCH, Weinheim, 2004.
2. G. Schultz, Farbstofftabellen, 5 th ed., Leipzig, 1914.
3. Harris et al. (, R. K. Harris, P. Jonsen, J. Packer, C. D. Campbell, J. Chem. Soc. Perkin Trans. 2 1987, 1383-1390) suggested from solid-state NMR investigations on P.R.57:1 that the calcium ion is complexed to sulfonate and carboxylate groups of different molecules, and thus they proposed a chain structure with pigment anions bridged by calcium ions. In contrast, Duckett et al.
4. G. R. Duckett, J. R. Fryer, T. Baird, Inst. Phys. Conf. Ser. 1987, 78, 437-440) have used electron diffraction data to propose a dimeric structure consisting of two calcium cations and two pigment anions.
5. A. R. Kennedy, P. C. Andrikopoulos, J.-B. Arlin, D. R. Armstrong, N. Duxbury, D. V. Graham, J. B. A. Kirkhouse, Chem. Eur. J. 2009, 15, 9494-9504
6. J. Stenger, E. E. Kwan, K. Eremin, S. Speakman, D. Kirby, H. Stewart, S. G. Huang, A. R. Kennedy, R. Newman, N. Khandekar, e-Preservations Sci. 2010, 7, 147-157; and a series of noncommercial compounds
7. A. R. Kennedy, C. McNair, W. E. Smith, G. Chisholm, S. J. Teat, Angew. Chem. 2000, 112, 652-654
8. Angew. Chem. Int. Ed. 2000, 39, 638-640
9. T. Gorelik, M. U. Schmidt, J. Brüning, S. Bekö, U. Kolb, Cryst. Growth Des. 2009, 9, 3898-3903 (from electron-diffraction data).
10. D. Kobelt, E. F. Paulus, W. Kunstmann, Acta Crystallogr. Sect. B 1972, 28, 1319-1324
11. E. F. Paulus, Z. Kristallogr. 1982, 160, 235-243
12. H. Mustroph, Z. Chem. 1987, 27, 281-289 (review with 100 references)
13. A. Whitaker, J. Soc. Dyers Colour. 1995, 111, 66-72
14. M. J. Barrow, R. M. Christie, T. D. Badcock, Dyes Pigm. 2003, 57, 99-106
15. H. Zollinger, Color Chemistry, 3 rd ed., Wiley-VCH, Weinheim, 2003
16. P. Gilli, V. Bertolasi, L. Pretto, L. Antonov, G. Gilli, J. Am. Chem. Soc. 2005, 127, 4943-4953.
17. Phases 1a and 1b (without determination of the water content and of the crystal structures) were previously mentioned:, X. Chen, P. Zhuang, R. Shengwu, Huadong Huagong Xueyuan Xuebao 1990, 16, 434-439.
18. DICVOL91:, A. Boultif, D. Louër, J. Appl. Crystallogr. 1991, 24, 987-993.
19. DASH 3.2:, W. I. F. David, K. Shankland, J. van de Streek, E. Pidcock, W. D. S. Motherwell, J. C. Cole, J. Appl. Crystallogr. 2006, 39, 910-915.
20. TOPAS 4.1: A. A. Coelho, TOPAS Academic User Manual. Version 4.1. Coelho Software, Brisbane, Australia, 2007.
21. C. F. Macrae, I. J. Bruno, J. A. Chisholm, P. R. Edgington, P. McCabe, E. Pidcock, L. Rodriguez-Monge, R. Taylor, J. van de Streek, P. A. Wood, J. Appl. Crystallogr. 2008, 41, 466-470).
22. M. U. Schmidt, H. J. Metz, European Patent EP 965617, 1999
23. M. U. Schmidt, H. J. Metz, European Patent EP 965616, 1999
24. M. U. Schmidt, European Patent EP 1010732, 1999.
25. M. A. Leonard, P. J. Squattrito, Acta Crystallogr. Sect. C 1997, 53, 648-651
26. S. L. Bekö, S. D. Thoms, J. Brüning, E. Alig, J. van de Streek, A. Lakatos, C. Glaubitz, M. U. Schmidt, Z. Kristallogr. 2010, 225, 382-387.