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2001•Acta Crystallographica Section E Structure Reports OnlineRequires access

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

P.R. Maulik, K. Avasthi, Sanjay Sarkhel, Ashoke Sharon, Diwan S. Rawat, Chandralata Bal

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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 Cl⋯O interactions.

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What this paper is about

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 Cl⋯O interactions.

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Available 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 Cl⋯O interactions.

Key concepts: Stacking, Intramolecular force, Intermolecular force, Propane, Hydrogen bond, Chemistry, Molecule, Atom (system on chip)

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