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Anticooperative C—C—H···O···H—O hydrogen bonding in 5β-Hydroxy-5α-ethynyl-10β-methyl-Δ1(9)-octalin-2-one

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Abstract

In the x-ray crystal structure of the alkynol 5β-hydroxy-5α-ethynyl-10β-methyl-Δ1(9)-octalin-2-one [C13H16O2, Pbca, a = 10.244(7), b = 12.734(2), c = 17.125(2) Å, Z = 8], the hydroxyl and ethynyl groups are involved in a hydrogen bond arrangement C—C—H···O···H—O, which is supposed to be anticooperative, i.e., weaker than the sum of two isolated hydrogen bonds.

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Authors and Affiliations

  1. Department of Physics, Anna University, Madras, 600-025, India

    K. Subramanian & S. Lakshmi

  2. Department of Organic Chemistry, University of Madras, Madras, 600 025, India

    K. Rajagopalan

  3. Institut für Kristallographie, Freie Universität Berlin, Takustraβe 6, D-14195, Berlin, Germany

    Thomas Steiner

Authors
  1. K. Subramanian
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  2. S. Lakshmi
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  3. K. Rajagopalan
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  4. Thomas Steiner
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Subramanian, K., Lakshmi, S., Rajagopalan, K. et al. Anticooperative C—C—H···O···H—O hydrogen bonding in 5β-Hydroxy-5α-ethynyl-10β-methyl-Δ1(9)-octalin-2-one. Journal of Chemical Crystallography 29, 735–737 (1999). https://doi.org/10.1023/A:1009592324736

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