Acta Cryst. (2001). E57, o1163-o1165  [ doi:10.1107/S1600536801018670 ]

1,3-Bis(8-chlorotheophyllin-7-yl)propane: a molecule with no intramolecular stacking

P. R. Maulik, K. Avasthi, S. Sarkhel, A. Sharon, D. S. Rawat and C. Bal

Abstract: The structure of 1,3-bis(8-chlorotheophyllin-7-yl)propane, C₁₇H₁₈Cl₂N₈O₄, which has no acidic H atom for conventional hydrogen bonding, is described. The compound shows only intermolecular stacking, as found in many xanthines, and most importantly it does not show intramolecular stacking, unlike the closely related 1,3-bis(theophyllin-8-yl)propane which has an acidic NH group for conventional hydrogen bonding. The title compound, in addition, exhibits intermolecular ClO interactions.

Online 10 November 2001

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