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Year 2017, Volume: 30 Issue: 3, 245 - 254, 20.09.2017

Naki Çolak Saliha Altıner Zarife Sibel Şahin Ayla Balaban Gündüzalp

Abstract

References

  • Murhekar, M. M., Khadsan, R. E. “Synthesis of Schiff bases by organic free solvent method.” J. Chem. Pharm. Res., 3(6):846-849, (2011).

Synthesis, Spectroscopic and Computational Studies of (E)-2-(2,3-dihydroxy)-benzylidene)amino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

Year 2017, Volume: 30 Issue: 3, 245 - 254, 20.09.2017

Naki Çolak Saliha Altıner Zarife Sibel Şahin Ayla Balaban Gündüzalp

Abstract

Aromatic/heteroaromatic Schiff base was synthesized by the reaction of 2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile with 2,3-dihydroxybenzaldehyde. Titled compound was characterized by elemental analysis, FT-IR, 1H NMR, 13C-APT NMR and single crystal X-ray diffraction methods. Imine compound was crystallized in triclinic crystal system with space group P-1. X-ray studies reveal that our molecule is stabilized by O-H···N and C-H···O hydrogen bonds and intermolecular π∙∙∙π interactions. The molecular structure of Schiff base was optimized by density functional theory (DFT) method using B3LYP/6-311+G(2d,p) quantum set in Gaussian 09W software program. The chemical shifts and geometrical parameters were also computed by the same quantum level and compared with the experimental results of (E)-2-(2,3-dihydroxy)-benzylidene)amino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile.

Keywords

aminothiophenes Crystal structure Aminothiophenes Gewald methods DFT method

References

  • Murhekar, M. M., Khadsan, R. E. “Synthesis of Schiff bases by organic free solvent method.” J. Chem. Pharm. Res., 3(6):846-849, (2011).
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Details

Primary Language English
Subjects Engineering
Journal Section Chemistry
Authors

Naki Çolak

Saliha Altıner This is me

Zarife Sibel Şahin

Ayla Balaban Gündüzalp

Publication Date September 20, 2017
Published in Issue Year 2017 Volume: 30 Issue: 3

Cite

APA Çolak, N., Altıner, S., Şahin, Z. S., Balaban Gündüzalp, A. (2017). Synthesis, Spectroscopic and Computational Studies of (E)-2-(2,3-dihydroxy)-benzylidene)amino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile. Gazi University Journal of Science, 30(3), 245-254.
AMA Çolak N, Altıner S, Şahin ZS, Balaban Gündüzalp A. Synthesis, Spectroscopic and Computational Studies of (E)-2-(2,3-dihydroxy)-benzylidene)amino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile. Gazi University Journal of Science. September 2017;30(3):245-254.
Chicago Çolak, Naki, Saliha Altıner, Zarife Sibel Şahin, and Ayla Balaban Gündüzalp. “Synthesis, Spectroscopic and Computational Studies of (E)-2-(2,3-Dihydroxy)-benzylidene)amino)-6-Methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-Carbonitrile”. Gazi University Journal of Science 30, no. 3 (September 2017): 245-54.
EndNote Çolak N, Altıner S, Şahin ZS, Balaban Gündüzalp A (September 1, 2017) Synthesis, Spectroscopic and Computational Studies of (E)-2-(2,3-dihydroxy)-benzylidene)amino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile. Gazi University Journal of Science 30 3 245–254.
IEEE N. Çolak, S. Altıner, Z. S. Şahin, and A. Balaban Gündüzalp, “Synthesis, Spectroscopic and Computational Studies of (E)-2-(2,3-dihydroxy)-benzylidene)amino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile”, Gazi University Journal of Science, vol. 30, no. 3, pp. 245–254, 2017.
ISNAD Çolak, Naki et al. “Synthesis, Spectroscopic and Computational Studies of (E)-2-(2,3-Dihydroxy)-benzylidene)amino)-6-Methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-Carbonitrile”. Gazi University Journal of Science 30/3 (September 2017), 245-254.
JAMA Çolak N, Altıner S, Şahin ZS, Balaban Gündüzalp A. Synthesis, Spectroscopic and Computational Studies of (E)-2-(2,3-dihydroxy)-benzylidene)amino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile. Gazi University Journal of Science. 2017;30:245–254.
MLA Çolak, Naki et al. “Synthesis, Spectroscopic and Computational Studies of (E)-2-(2,3-Dihydroxy)-benzylidene)amino)-6-Methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-Carbonitrile”. Gazi University Journal of Science, vol. 30, no. 3, 2017, pp. 245-54.
Vancouver Çolak N, Altıner S, Şahin ZS, Balaban Gündüzalp A. Synthesis, Spectroscopic and Computational Studies of (E)-2-(2,3-dihydroxy)-benzylidene)amino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile. Gazi University Journal of Science. 2017;30(3):245-54.