2-Methyl-5-[(3-methyl-4-nitrobenzyl)-sulfanyl]-1,3,4-thiadiazole

Hoong Kun Fun, Suchada Chantrapromma, B. Chandrakantha, Arun M. Isloor, Prakash Shetty

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

The molecule of the title thiadiazole derivative, C11H 11N3O2S2, has a butterfly-like structure and the whole molecule is disordered with a site-occupancy ratio of 0.629 (4):0.371 (4). The molecule is disordered in such a way that the 3-methyl-4-nitrophenyl units of the major and minor components are approximately related by 180° rotation around the C - N bond axis. The dihedral angle between the 1,3,4-thiadiazole and benzene rings is 70.8 (4) ° in the major component and 74.9 (6) ° in the minor component. In the crystal, molecules are arranged into screw chains along the c axis. These chains are stacked along the b axis. Weak intermolecular C - H⋯O and C - H⋯π interactions and a short C⋯O contact [3.005 (7) Å] are present.

Original languageEnglish
JournalActa Crystallographica Section E: Structure Reports Online
Volume67
Issue number1
DOIs
Publication statusPublished - 01-01-2011

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Molecules
molecules
Thiadiazoles
screws
Dihedral angle
Carbon Monoxide
Benzene
dihedral angle
benzene
Derivatives
Crystals
1,3,4-thiadiazole
rings
crystals
interactions
4-nitrophenyl

All Science Journal Classification (ASJC) codes

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

Cite this

Fun, Hoong Kun ; Chantrapromma, Suchada ; Chandrakantha, B. ; Isloor, Arun M. ; Shetty, Prakash. / 2-Methyl-5-[(3-methyl-4-nitrobenzyl)-sulfanyl]-1,3,4-thiadiazole. In: Acta Crystallographica Section E: Structure Reports Online. 2011 ; Vol. 67, No. 1.
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2-Methyl-5-[(3-methyl-4-nitrobenzyl)-sulfanyl]-1,3,4-thiadiazole. / Fun, Hoong Kun; Chantrapromma, Suchada; Chandrakantha, B.; Isloor, Arun M.; Shetty, Prakash.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 67, No. 1, 01.01.2011.

Research output: Contribution to journalArticle

TY - JOUR

T1 - 2-Methyl-5-[(3-methyl-4-nitrobenzyl)-sulfanyl]-1,3,4-thiadiazole

AU - Fun, Hoong Kun

AU - Chantrapromma, Suchada

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AU - Isloor, Arun M.

AU - Shetty, Prakash

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AB - The molecule of the title thiadiazole derivative, C11H 11N3O2S2, has a butterfly-like structure and the whole molecule is disordered with a site-occupancy ratio of 0.629 (4):0.371 (4). The molecule is disordered in such a way that the 3-methyl-4-nitrophenyl units of the major and minor components are approximately related by 180° rotation around the C - N bond axis. The dihedral angle between the 1,3,4-thiadiazole and benzene rings is 70.8 (4) ° in the major component and 74.9 (6) ° in the minor component. In the crystal, molecules are arranged into screw chains along the c axis. These chains are stacked along the b axis. Weak intermolecular C - H⋯O and C - H⋯π interactions and a short C⋯O contact [3.005 (7) Å] are present.

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