Abstract
The crystal and molecular structure of molecular cleft 2,7-di-tert-butyl-9,9-dimethyl-4,5-xanthenedicarboxylic acid (1) is reported. Crystal data for 1: triclinic, space group Pī, a = 7.934(2), b = 10.387(2), c = 14.084(3) Å, α = 96.049(3), β = 101.231(4), γ = 95.635(4)°, V = 1123.7(4) Å3, and D c = 1.21 g/cm3, for Z = 2. The molecule crystallizes as a cyclic, hydrogen-bonded dimer held together by four O–H······O hydrogen bonds involving four carboxyl groups each of which interact by way of a cyclic hydrogen-bonded motif. The complex organizes in the solid state to form a 2D layered structure.
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Rebek, J., Jr. Angew.Chem., Int.Ed.Engl. 1990, 29, 245.
Bach, T.; Bergmann, H.; Harms, K. Angew.Chem., Int.Ed.Engl.2000, 39, 2302.
Deans, R.; Niemz, A.; Breinlinger, E.C.; Rotello, V.M.J.Am. Chem.Soc. 1997, 119, 10863.
MacGillivray, L.R.; Reid, J.L.; Ripmeester, J.A. J.Am.Chem. Soc. 2000, 122, 7817.
Nowick, J.S.; Ballester, P.; Ebmeyer, F.; Rebek, J., Jr. J.Am. Chem.Soc. 1990, 112, 8902.
Shimizu, K.D.; Dewey, T.M.; Rebek, J., Jr. J.Am.Chem.Soc. 1994, 116, 5145.
Sheldrick, G.M. Acta.Crystallogr., Sect.A 1990, 46, 467.
Sheldrick, G.M.SHELXL93; University ofG¨ottingen: Germany, 1993.
Barbour, L.J. RES2INS, Program for Graphic Representation of SHELXL Instruction Files; University of Missouri-Columbia: Missouri, 1997.
Fitzgerald, L.J.; Gallucci, J.C.; Gerkin, R.E. Acta Crystallogr., Sect.B 1991, 47, 776.
Fitzgerald, L.J.; Gerkin, R.E. Acta.Crystallogr., Sect.C 1996, 52, 1838.
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MacGillivray, L.R., Siebke, M.M. Crystal and molecular structure of 2,7-di-tert-butyl-9,9-dimethyl-4,5-xanthenedicarboxylic acid. Journal of Chemical Crystallography 31, 373–376 (2001). https://doi.org/10.1023/A:1015603507044
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DOI: https://doi.org/10.1023/A:1015603507044