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Hydrogen bonding in thiourea: diethyl oxalate complex in 2:1 ratio

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Abstract

The crystal structure of thiourea:diethyl oxalate in 2:1 ratio is the first of its kind where the diethyl oxalate exists as a solid which otherwise is a liquid at room temperature. It crystallizes in triclinic centrosymmetric space group P-1 with the following unit cell dimensions a = 7.1870(7) Å, b = 7.4890(8) Å, c = 8.3637(7) Å, α = 63.783(7)∘, β = 67.41(1)∘, γ = 64.933(7)∘. The R-factor = 0.0386 for 1850 Fo > 4σ (Fo) and 0.0417 for all 2020 data. There is a center of inversion at the center of the C–C bond of diethyl oxalate. This system is stabilized by N–H ⋅s S and N–H ⋅s O hydrogen bonds.

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Authors and Affiliations

  1. Solid State Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai, 400085, India

    R. Chitra, Amit Das, R. R. Choudhury & M. Ramanadham

  2. Department of Studies in Physics, University of Mysore, Manasgangotri, Mysore, 570 006, India

    S. Lakshmi, M. A. Sridhar & J. Shashidar Prasad

Authors
  1. R. Chitra
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  2. Amit Das
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  3. R. R. Choudhury
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  4. M. Ramanadham
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  5. S. Lakshmi
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  6. M. A. Sridhar
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  7. J. Shashidar Prasad
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Correspondence to R. Chitra.

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Chitra, R., Das, A., Choudhury, R.R. et al. Hydrogen bonding in thiourea: diethyl oxalate complex in 2:1 ratio. J Chem Crystallogr 35, 509–512 (2005). https://doi.org/10.1007/s10870-005-2853-9

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  • DOI: https://doi.org/10.1007/s10870-005-2853-9

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