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Hydrogen bonds and π–π stacking interaction in 4′, 7-dimethoxylisoflavone and 4′,7-diacetyl-O-isoflavone

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Abstract

4′,7-dimethoxylisoflavone, C17H14O4, (I), is linked into a supramolecular structure by a variety of weak but direction-specific intermolecular forces, the molecules are linked into chains through C–H⋅sO hydrogen bonds, these chains are further linked by face-to-face (F-tape) π–π stacking into a one-dimensional bi-chain, another type π–π stacking, edge-to-face (T-tape), assemble the bi-chain into framework together with C–H⋅sO hydrogen bonds. 4′,7-diacetyl-O-isoflavone, C19H15O6, (II), shows some discrepancies with I and the molecules are assembled into framework all by C–H⋅sO hydrogen bonds. The molecules are linked into centrosymmetric dimers built from classic R22 (8) rings by pairs of C–H⋅sO hydrogen bonds, the dimers are linked into (011) sheets by combination of the R22 (8) ring and C–H⋅sO hydrogen bonds, another C–H⋅sO hydrogen bond assemble the sheets into three-dimensional network.

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Authors and Affiliations

  1. School of Chemistry and Materials Science, Shaanxi Normal University, Xi'an, 710062, PRC

    Zun-Ting Zhang, Xiao-Bing Wang, Qiu-Ya Wang & Li-Na Wu

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  1. Zun-Ting Zhang
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  2. Xiao-Bing Wang
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  3. Qiu-Ya Wang
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  4. Li-Na Wu
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Correspondence to Zun-Ting Zhang.

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Zhang, ZT., Wang, XB., Wang, QY. et al. Hydrogen bonds and π–π stacking interaction in 4′, 7-dimethoxylisoflavone and 4′,7-diacetyl-O-isoflavone. J Chem Crystallogr 35, 923–929 (2005). https://doi.org/10.1007/s10870-005-5175-z

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  • DOI: https://doi.org/10.1007/s10870-005-5175-z

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