Skip to main content
SpringerLink
Log in

Crystal structure of olanzapinium benzoate (1:1)

  • Published:
Journal of Structural Chemistry Aims and scope Submit manuscript

Abstract

Olanzapinium benzoate, 1-methyl-4-(2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)-piperazin-1-ium benzoate, (C17H21N4S)+(C7H5O2)− (I), crystallizes in triclinic space group P-1 with unit cell dimensions a = 9.2957(6) Å, b = 11.2416(7) Å, c = 12.0003(8) Å; α = 64.585(1)°, β = 87.568(1)°, γ = 83.248(1)°; V = 1124.8(1) Å3. The asymmetric part of the structure comprises a singly charged olanzapinium cation and a singly charged benzoate anion. The central 1,5-diazepine ring adopts the expected boat conformation, while the piperazine ring favors the chair conformation. The olanzapinium and benzoate ions are linked by intermolecular N-H...O hydrogen bonds forming infinite chains running along the c-axis of the crystal.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. J. K. Chakrabarti, L. Horsman, T. M. Hotten, et al., J. Med. Chem., 23, 878–884 (1980).

    Article  PubMed  CAS  Google Scholar 

  2. J. T. Callaghan, R. F. Bergstrom, L. R. Ptak, and C. M. Beasley, Clin. Pharm., 37, 177–193 (1999).

    Article  CAS  Google Scholar 

  3. J. S. Kennedy, F. P. Bymaster, L. Schuh, et al., Int. J. Geriatr. Psych., 16, Suppl. 1, S33–S61 (2001).

    Article  Google Scholar 

  4. R. Tandon and M. D. Jibson, Psychoneuroendocrinology, 28, 9–26 (2003).

    Article  PubMed  CAS  Google Scholar 

  5. K. Ravikumar, G. Y. S. K. Swamy, B. Sridhar, and S. Roopa, Acta Crystallogr., E61, o2720–o2723 (2005).

    Google Scholar 

  6. SMART & SAINT. Software Reference manuals. Versions 6.28a & 5.625, Bruker Analytical X-ray Systems Inc., Madison, Wisconsin, USA (2001).

  7. G. M. Sheldrick, SHELXS-97 and SHELXL-97, Programs for Crystal Structure Solution and Refinement, Univ. Göttingen, Germany (1997).

    Google Scholar 

  8. G. M. Sheldrick, SHELXTL/PC. User Manual. Bruker AXS, Inc. Madison, Wisconsin, USA (1990).

    Google Scholar 

  9. I. Wawrzycka-Gorczyca, A. E. Koziol, M. Glice, and J. Cybulski, Acta Crystallogr., E60, o66–o68 (2004).

    CAS  Google Scholar 

  10. I. Wawrzycka-Gorczyca, L. Mazur, and A. E. Koziol, ibid., o69–o71.

  11. B. Capuano, I. T. Crosby, G. D. Fallon, et al., ibid., E59, o1367–o1369 (2003).

  12. A. S. Horn and S. H. Snyder, Proc. Natl. Acad. Sci. USA, 68, 2325–2328 (1971).

    Article  PubMed  ADS  CAS  Google Scholar 

  13. D. Cremer and J. A. Pople, J. Am. Chem. Soc., 97, 1354–1358 (1975).

    Article  CAS  Google Scholar 

  14. Hypercube. HYPERCHEM. Release 4.5. Hypercube Inc., 419 Phillip Street, Waterloo, Ontario, Canada N2L 3X2 (1995).

  15. E. J. Lien, A. Das, and L. I. Lien, Chinese Pharm. J., 48, 387–396 (1996).

    CAS  Google Scholar 

  16. J.-M. Lehn, Supramolecular Chemistry: Concepts and Perspectives, VCH, New York (1995).

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Laboratopy of X-ray Crystallography, Indian Institute of Chemical Technology, Hyderabad, 500007, India

    B. Sridhar & K. Ravikumar

Authors
  1. B. Sridhar
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. K. Ravikumar
    View author publications

    You can also search for this author in PubMed Google Scholar

Additional information

Original Russian Text Copyright © 2007 by B. Sridhar and K. Ravikumar

The text was submitted by the authors in English, Zhurnal Strukturnoi Khimii, Vol. 48, No. 1, pp. 194–198, January–February, 2007.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Sridhar, B., Ravikumar, K. Crystal structure of olanzapinium benzoate (1:1). J Struct Chem 48, 198–202 (2007). https://doi.org/10.1007/s10947-007-0032-x

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s10947-007-0032-x

Keywords

Search

Navigation