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Journal of Chemical Crystallography

, Volume 35, Issue 7, pp 551–554 | Cite as

X-ray crystallographic structure of the 9,10-dihydro-11,12bis[(1,3,3-trimethylureido)methyl]-9,10ethanoanthracene dihydrate

  • Janina Karolak-Wojciechowska
  • Andrzej Fruziński
  • Sandrine Alibert-Franco
  • Christiane Santelli-Rouvier
  • Jacques Barbe
Article

Abstract

As a part of studies on MDR reversal agents, structure of the 9,10-dihydro-11,12-bis[(1,3,3-trimethylureido)methyl]-9,10-ethanoanthracene dihydrate is reported. Crystal data: C26H34N4O2 × 2 H2O; mol. mass 470.60; monoclinic; space group: C2/c, a = 15.7492(6) Å; b = 7.2245(3) Å; c = 24.3442(10) Å; β = 106.795(2); V = 2651.73(22) Å3; z = 4; dx = 1.179 mg/m3; μ = 0.64 mm−1; F(000) = 1016; final R = 0.061 for 2501 reflections [I > 4 σ (I)]. Only half of the molecule is unique. The two nonplanar rings from the independent part of 9,10-dihydro-9,10-ethanoanthracene adopt a boat conformation. Crystallographic data demonstrate the “syn-syn” conformation of urea substituents in the molecule. In the crystal, water molecules are linked to the main species by H-bonds: O3′⋅sH12w—O1—H11w⋅sO3′(1.5 x, 0.5 − y, 1 − z).

Keywords

9,10-Dihydro-9, 10-ethanoanthracene derivative MDR reversal agent 

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Copyright information

© Springer Science + Business Media, Inc. 2005

Authors and Affiliations

  • Janina Karolak-Wojciechowska
    • 1
  • Andrzej Fruziński
    • 1
  • Sandrine Alibert-Franco
    • 1
  • Christiane Santelli-Rouvier
    • 2
  • Jacques Barbe
    • 2
  1. 1.Institute of General and Ecological ChemistryTechnical UniversityŁódźPoland
  2. 2.GERCTOP-UMR CNRS 6178, Faculté de PharmacieUniversité de la MéditerranéeMarseilleFrance

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