2-(5-Bromopyridin-3-yl)-5-[3-(4,5,6,7-tetrahydrothieno[3,2-c] pyridine-5-ylsulfon-yl)thio-phen-2-yl]-1,3,4-oxa-diazole

Hoong Kun Fun, Madhukar Hemamalini, Sankappa Rai, A. M. Isloor, Prakash Shetty

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

In the title compound, C 18H 13BrN 4O 3S 3, the tetra-hydro-pyridine ring adopts a half-chair conformation with the central methylene-C atom of the NCH 2CH 2 unit at the flap. The dihedral angles between the tetra-hydro-pyridine ring and the pyridine and two thiophene rings are 69.34 (13) 5.66 (13) and 68.63 (13)°, respectively, while the dihedral angle between the 1,3,4-oxadiazole and tetrahydropyridine rings is 54.76 (13)°. The molecule is stabilized by an intramolecular C-H⋯N interaction. In the crystal, adjacent molecules are connected via bifurcated C-H⋯(N,O) hydrogen bonds, forming a chain along the b axis.

Original languageEnglish
JournalActa Crystallographica Section E: Structure Reports Online
Volume67
Issue number10
DOIs
Publication statusPublished - 01-10-2011

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Pyridine
pyridines
Dihedral angle
rings
dihedral angle
Thiophenes
Molecules
Thiophene
Conformations
Hydrogen bonds
thiophenes
methylene
seats
molecules
Atoms
Crystals
hydrogen bonds
pyridine
crystals
atoms

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

Cite this

@article{bc2de2f7ac384476990ea85fe0be433c,
title = "2-(5-Bromopyridin-3-yl)-5-[3-(4,5,6,7-tetrahydrothieno[3,2-c] pyridine-5-ylsulfon-yl)thio-phen-2-yl]-1,3,4-oxa-diazole",
abstract = "In the title compound, C 18H 13BrN 4O 3S 3, the tetra-hydro-pyridine ring adopts a half-chair conformation with the central methylene-C atom of the NCH 2CH 2 unit at the flap. The dihedral angles between the tetra-hydro-pyridine ring and the pyridine and two thiophene rings are 69.34 (13) 5.66 (13) and 68.63 (13)°, respectively, while the dihedral angle between the 1,3,4-oxadiazole and tetrahydropyridine rings is 54.76 (13)°. The molecule is stabilized by an intramolecular C-H⋯N interaction. In the crystal, adjacent molecules are connected via bifurcated C-H⋯(N,O) hydrogen bonds, forming a chain along the b axis.",
author = "Fun, {Hoong Kun} and Madhukar Hemamalini and Sankappa Rai and Isloor, {A. M.} and Prakash Shetty",
year = "2011",
month = "10",
day = "1",
doi = "10.1107/S1600536811038529",
language = "English",
volume = "67",
journal = "Acta Crystallographica Section E: Structure Reports Online",
issn = "1600-5368",
publisher = "International Union of Crystallography",
number = "10",

}

2-(5-Bromopyridin-3-yl)-5-[3-(4,5,6,7-tetrahydrothieno[3,2-c] pyridine-5-ylsulfon-yl)thio-phen-2-yl]-1,3,4-oxa-diazole. / Fun, Hoong Kun; Hemamalini, Madhukar; Rai, Sankappa; Isloor, A. M.; Shetty, Prakash.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 67, No. 10, 01.10.2011.

Research output: Contribution to journalArticle

TY - JOUR

T1 - 2-(5-Bromopyridin-3-yl)-5-[3-(4,5,6,7-tetrahydrothieno[3,2-c] pyridine-5-ylsulfon-yl)thio-phen-2-yl]-1,3,4-oxa-diazole

AU - Fun, Hoong Kun

AU - Hemamalini, Madhukar

AU - Rai, Sankappa

AU - Isloor, A. M.

AU - Shetty, Prakash

PY - 2011/10/1

Y1 - 2011/10/1

N2 - In the title compound, C 18H 13BrN 4O 3S 3, the tetra-hydro-pyridine ring adopts a half-chair conformation with the central methylene-C atom of the NCH 2CH 2 unit at the flap. The dihedral angles between the tetra-hydro-pyridine ring and the pyridine and two thiophene rings are 69.34 (13) 5.66 (13) and 68.63 (13)°, respectively, while the dihedral angle between the 1,3,4-oxadiazole and tetrahydropyridine rings is 54.76 (13)°. The molecule is stabilized by an intramolecular C-H⋯N interaction. In the crystal, adjacent molecules are connected via bifurcated C-H⋯(N,O) hydrogen bonds, forming a chain along the b axis.

AB - In the title compound, C 18H 13BrN 4O 3S 3, the tetra-hydro-pyridine ring adopts a half-chair conformation with the central methylene-C atom of the NCH 2CH 2 unit at the flap. The dihedral angles between the tetra-hydro-pyridine ring and the pyridine and two thiophene rings are 69.34 (13) 5.66 (13) and 68.63 (13)°, respectively, while the dihedral angle between the 1,3,4-oxadiazole and tetrahydropyridine rings is 54.76 (13)°. The molecule is stabilized by an intramolecular C-H⋯N interaction. In the crystal, adjacent molecules are connected via bifurcated C-H⋯(N,O) hydrogen bonds, forming a chain along the b axis.

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U2 - 10.1107/S1600536811038529

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M3 - Article

VL - 67

JO - Acta Crystallographica Section E: Structure Reports Online

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SN - 1600-5368

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