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Mague JT, Mohamed SK, Akkurt M, et al. Crystal structure of [(E)-({2-[3-(2-{(1E)-[(carbamo-thioyl-amino)-imino]-meth-yl}phen-oxy)prop-oxy]phen-yl}methyl-idene)amino]-thio-urea with an unknown solvate. Acta Crystallogr E Crystallogr Commun. 2015;71:o530-1doi: 10.1107/S2056989015012074.
Mague, J. T., Mohamed, S. K., Akkurt, M., Younes, S. H., & Albayati, M. R. (2015). Crystal structure of [(E)-({2-[3-(2-{(1E)-[(carbamo-thioyl-amino)-imino]-meth-yl}phen-oxy)prop-oxy]phen-yl}methyl-idene)amino]-thio-urea with an unknown solvate. Acta crystallographica. Section E, Crystallographic communications, 71o530-1. https://doi.org/10.1107/S2056989015012074
Mague, Joel T, et al. "Crystal structure of [(E)-({2-[3-(2-{(1E)-[(carbamo-thioyl-amino)-imino]-meth-yl}phen-oxy)prop-oxy]phen-yl}methyl-idene)amino]-thio-urea with an unknown solvate." Acta crystallographica. Section E, Crystallographic communications vol. 71 (2015): o530-1. doi: https://doi.org/10.1107/S2056989015012074
Mague JT, Mohamed SK, Akkurt M, Younes SH, Albayati MR. Crystal structure of [(E)-({2-[3-(2-{(1E)-[(carbamo-thioyl-amino)-imino]-meth-yl}phen-oxy)prop-oxy]phen-yl}methyl-idene)amino]-thio-urea with an unknown solvate. Acta Crystallogr E Crystallogr Commun. 2015 Jun 30;71:o530-1. doi: 10.1107/S2056989015012074. eCollection 2015 Jul 01. PMID: 26279946; PMCID: PMC4518929.
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Acta Crystallogr E Crystallogr Commun. 2015 Jun 30;71:o530-1. doi: 10.1107/S2056989015012074. eCollection 2015 Jul 01.

Crystal structure of [(E)-({2-[3-(2-{(1E)-[(carbamo-thioyl-amino)-imino]-meth-yl}phen-oxy)prop-oxy]phen-yl}methyl-idene)amino]-thio-urea with an unknown solvate.

Acta crystallographica. Section E, Crystallographic communications

Joel T Mague, Shaaban K Mohamed, Mehmet Akkurt, Sabry H H Younes, Mustafa R Albayati

Affiliations

  1. Department of Chemistry, Tulane University, New Orleans, LA 70118, USA.
  2. Faculty of Science & Engineering, School of Healthcare Science, Manchester Metropolitan University, Manchester M1 5GD, England ; Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.
  3. Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.
  4. Chemistry Department, Faculty of Science, Sohag University, 82524 Sohag, Egypt.
  5. Kirkuk University, College of Education, Department of Chemistry, Kirkuk, Iraq.

PMID: 26279946 PMCID: PMC4518929 DOI: 10.1107/S2056989015012074

Abstract

The title mol-ecule, C19H22N6O2S2, has crystallographically imposed C 2 symmetry, with the central C atom lying on the rotation axis. The O-C-C-C torsion angle for the central chain is -59.22 (16)° and the dihedral angle between the planes of the benzene rings is 75.20 (7)°. In the crystal, N-H⋯O and N-H⋯S inter-actions link the mol-ecules, forming a three-dimensional network encompassing channels running parallel to the c axis, which account for about 20% of the unit-cell volume. The contribution to the scattering from the highly disordered solvent mol-ecules in these channels was removed with the SQUEEZE routine [Spek (2015). Acta Cryst. C71, 9-18] in PLATON. The stated crystal data for M r, μ etc. do not take these into account.

Keywords: SQUEEZE; biological activity; bis-thio­semicarbazones; crystal structure

References

  1. Eur J Med Chem. 2010 Jan;45(1):38-48 - PubMed
  2. Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55 - PubMed
  3. J Med Chem. 1974 Jul;17(7):760-1 - PubMed
  4. J Inorg Biochem. 2010 Feb;104(2):199-206 - PubMed
  5. Acta Crystallogr A Found Adv. 2015 Jan;71(Pt 1):3-8 - PubMed
  6. J Med Chem. 2004 Jun 3;47(12):3212-9 - PubMed
  7. Acta Crystallogr C Struct Chem. 2015 Jan;71(Pt 1):3-8 - PubMed
  8. Anticancer Agents Med Chem. 2009 Feb;9(2):185-211 - PubMed
  9. Adv Enzyme Regul. 1999;39:3-12 - PubMed
  10. Acta Crystallogr C Struct Chem. 2015 Jan;71(Pt 1):9-18 - PubMed
  11. Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22 - PubMed

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