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

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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).

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References

  1. Alibert, S.; Santelli-Rouvier Ch.; Castaing, M.; Berthelot, M.; Spengler, G.; Molnar, J.; Barbe, J. Eur. J. Med. Chem. 2003, 38, 253–263.

    Article  PubMed  Google Scholar 

  2. Sheldrick, G.M. SADABS, Program for Empirical Absorption Correction of Area Detector Data, University of Göttingen, Germany, 1996.

    Google Scholar 

  3. Sheldrick, G.M. SHELXTL PCMT, Siemens Analytical X-Ray Instruments Inc: Madison, WI, 1990.

    Google Scholar 

  4. Sheldrick, G.M. SHELXL-97, Program for Crystal Structure Refinement, Institüt für Anorganische Chemie der Universität: Göttingen, Germany, 1997.

    Google Scholar 

  5. Karolak-Wojciechowska, J.; Trzeźwińska, H.B.; Alibert-Franco, S.; Santelli-Rouvier, C.; Barbe, J. J. Chem. Crystallogr. 1998, 28, 905.

    Article  Google Scholar 

  6. Karolak-Wojciechowska, J.; Trzeźwińska, H.B.; Alibert-Franco, S.; Santelli-Rouvier, C.; Barbe, J. J. Chem. Crystallogr. 2000, 29, 1201.

    Google Scholar 

  7. Cambridge Crystallographic Data Centre, University Chemical Laboratory, Lensfield Road, Cambridge CB2 1EW, United Kingdom.

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Authors and Affiliations

  1. Institute of General and Ecological Chemistry, Technical University, 90-924, Łódź, Poland

    Janina Karolak-Wojciechowska, Andrzej Fruziński & Sandrine Alibert-Franco

  2. GERCTOP-UMR CNRS 6178, Faculté de Pharmacie, Université de la Méditerranée, Marseille, France

    Christiane Santelli-Rouvier & Jacques Barbe

Authors
  1. Janina Karolak-Wojciechowska
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  2. Andrzej Fruziński
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  3. Sandrine Alibert-Franco
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  4. Christiane Santelli-Rouvier
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  5. Jacques Barbe
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Correspondence to Janina Karolak-Wojciechowska.

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Karolak-Wojciechowska, J., Fruziński, A., Alibert-Franco, S. et al. X-ray crystallographic structure of the 9,10-dihydro-11,12bis[(1,3,3-trimethylureido)methyl]-9,10ethanoanthracene dihydrate. J Chem Crystallogr 35, 551–554 (2005). https://doi.org/10.1007/s10870-005-5382-7

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  • DOI: https://doi.org/10.1007/s10870-005-5382-7

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