X-ray crystal structure analysis and atomic charges of color former and developer: 4 colored formers

Journal of Molecular Structure

Volumn 484, Issue 1-3, 1999, Pages 161-179

  Okada, Kenji ^a   Okada, Sachiko ^b  

^a RICOH COMPANY LTD   (Japan)

^b TOKYO UNIVERSITY OF SCIENCE   (Japan)

Author keywords

Color former; Thermal motion; Thermogravimetry; Xanthene

Indexed keywords

BENZENE; CARBON; CARBOXYL GROUP; CHLORIDE; GAMMA LACTONE DERIVATIVE; HYDROCHLORIC ACID; NITROGEN; OXYGEN; XANTHENE DERIVATIVE;

ARTICLE; CRYSTAL STRUCTURE; HYDROGEN BOND; ISOMER; MOLECULAR MODEL; PHYSICAL CHEMISTRY; STRUCTURE ANALYSIS; SURFACE CHARGE; X RAY DIFFRACTION;

EID: 0033535915     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(98)00901-6     Document Type: Article

References (34)

1. Osborn R.S., Rogers D. Acta Crystallogr. Sect. B. B31:1975;359.
2. H. Kubata, H. Yoshioka, K. Nakatsu, M. Matsumoto, Y. Sato, J. Soc. Photogra. Sci. Tech. Jpn. (1989) 1AP-10; Int. Symp. on Chemistry of Functional Dyes (1989) 223.
3. H. Kubata, H. Yoshioka, K. Nakatsu, M. Matsumoto, Y. Sato, J. Soc. Photogra. Sci. Tech. Jpn. (1989) 1AP-10; Int. Symp. on Chemistry of Functional Dyes (1989) 223.
4. K. Oriishi, T. Ootsuka, S. Saito, K. Ibata, J. Soc. Photogra. Sci. Tech. Jpn. (1992) 2C6-09.
5. Liu X.-L., Wang J.-L., Liu J.-W., Miao F.-M. Acta Crystallogr. Sect. C. C51:1995;324.
6. Okada K. J. Mol. Struct. 380:1996;223.
7. Okada K. J. Mol. Struct. 380:1996;235.
8. Okada K., Okada S. J. Mol. Struct. 406:1997;29.
9. Dewar M.J.S. J. Chem. Soc. 1950;2329.
10. Griffiths J., Pender K.J. Dyes and Pigments. 2:1981;37.
11. H. Kubata, H. Yoshioka, K. Nakatsu, M. Matsumoto, Y. Sato, J. Soc. Photogra. Sci. Tech. Jpn. (1990) 2A-5, 2B-20.
12. Rihs G., Weis C.D. Dyes and Pigments. 15:1991;165.
13. Okada K., Okada S. J. Chem. Inf. and Comput. Sci. 37:(3):1997;522.
14. M. Nardelli, private communication of CYLABS and SHERABS, 1997.
15. International Tables for X-ray Crystallography C (1992) 302, 523.
16. Dwiggins C.W. Jr. Acta Crystallogr. Sect. A. A31:1975;146.
17. R. Miller, S.M. Gallo, H.G. Khalak, C.M. Weeks, SnB: A structure determination package user's manual for version 1.5.0, HWI, Buffalo, NY, USA, 1996.
18. Cruickshank D.W.J. Rollett J.S. Computing Methods in Crystallography. 1965;112 Pergamon Press, Oxford.
19. International Tables for X-ray Crystallography, Vol. IV, Kynoch Press, Birmingham, UK, 1974, p. 99, 149.
20. K.N. Trueblood, THMA14, The computer program for thermal motion analysis including internal torsion, University of California, Los Angels, USA, 1992.
21. Schomaker V., Trueblood K.N. Acta Crystallogr. B24:1968;63.
22. Trueblood K.N. Acta Crystallogr. A34:1978;950.
23. Dunitz J.D., White D.N.J. Acta Crystallogr. A29:1973;93.
24. M. Nardelli, ROTENER, A Fortran routine for calculating non-bonded potential energy, University of Parma, Parma, Italy, 1992.
25. Gasteiger J., Marsili M. Tetrahedron. 36:1980;3219.
26. Stewart J.J.P. J. Comp. Chem. 10:1989;209,221.
27. CS Chem3D Pro Ver. 3.5: Molecular modeling and analysis, CambridgeSoft Co., Cambridge, MA, USA, 1996.
28. Cremer D., Pople J.A. J. Am. Chem. Soc. 97:1975;1354.
29. Nardelli M. Acta Crystallogr. Sect. C. C39:1983;1141.
30. Hirshfeld F.L. Acta Crystallogr. Sect. A. A32:1976;239.
31. Griffiths J., Pender K.J. Dyes and Pigments. 2:1981;37.
32. Taylor R., Kennard O. J. Am. Chem. Soc. 104:1982;5063.
33. Allen F.H., Kennard O., Watson D.G., Brammer L., Orpen A.G. J. Chem. Soc. Perkin Trans. II. 1987;S1.
34. M.N. Burnett, C.K. Johnson, ORTEP-III, Oak Ridge thermal ellipsoid plot program for crystal structure illustrations, ORNL-6895, Oak Ridge National Laboratory, Oak Ridge, TN, 1996.