2-(3-Nitrophenyl)-3-phenyl-2,3-dihydro-4H-1,3-benzothiazin-4-one

Hemant P. Yennawar, Lee J. Silverberg, Michael J. Minehan, John Tierney

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

The title compound, C20H14N2O 3S, has three aromatic rings, viz. (i) a phenyl ring, (ii) a 3-nitrophenyl and (iii) a 1,3-benzothiazine fused-ring system. The dihedral angle between (i) and (ii) is 85.31(15)°, between (ii) and (iii) is 81.33(15)° and between (i) and (iii) is 75.73(15)°. The six-membered 1,3-thiazine ring has an envelope conformation with the C atom in the 2-position forming the flap. In the crystal, molecules are linked by weak C - H⋯O interactions, forming a three-dimensional network.

Original languageEnglish (US)
Pages (from-to)o1679
JournalActa Crystallographica Section E: Structure Reports Online
Volume69
Issue number11
DOIs
StatePublished - Nov 1 2013

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Thiazines
Dihedral angle
Conformations
Atoms
Crystals
Molecules
rings
thiazine (trademark)
dihedral angle
envelopes
crystals
atoms
molecules
interactions

All Science Journal Classification (ASJC) codes

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

Cite this

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title = "2-(3-Nitrophenyl)-3-phenyl-2,3-dihydro-4H-1,3-benzothiazin-4-one",
abstract = "The title compound, C20H14N2O 3S, has three aromatic rings, viz. (i) a phenyl ring, (ii) a 3-nitrophenyl and (iii) a 1,3-benzothiazine fused-ring system. The dihedral angle between (i) and (ii) is 85.31(15)°, between (ii) and (iii) is 81.33(15)° and between (i) and (iii) is 75.73(15)°. The six-membered 1,3-thiazine ring has an envelope conformation with the C atom in the 2-position forming the flap. In the crystal, molecules are linked by weak C - H⋯O interactions, forming a three-dimensional network.",
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2-(3-Nitrophenyl)-3-phenyl-2,3-dihydro-4H-1,3-benzothiazin-4-one. / Yennawar, Hemant P.; Silverberg, Lee J.; Minehan, Michael J.; Tierney, John.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 69, No. 11, 01.11.2013, p. o1679.

Research output: Contribution to journalArticle

TY - JOUR

T1 - 2-(3-Nitrophenyl)-3-phenyl-2,3-dihydro-4H-1,3-benzothiazin-4-one

AU - Yennawar, Hemant P.

AU - Silverberg, Lee J.

AU - Minehan, Michael J.

AU - Tierney, John

PY - 2013/11/1

Y1 - 2013/11/1

N2 - The title compound, C20H14N2O 3S, has three aromatic rings, viz. (i) a phenyl ring, (ii) a 3-nitrophenyl and (iii) a 1,3-benzothiazine fused-ring system. The dihedral angle between (i) and (ii) is 85.31(15)°, between (ii) and (iii) is 81.33(15)° and between (i) and (iii) is 75.73(15)°. The six-membered 1,3-thiazine ring has an envelope conformation with the C atom in the 2-position forming the flap. In the crystal, molecules are linked by weak C - H⋯O interactions, forming a three-dimensional network.

AB - The title compound, C20H14N2O 3S, has three aromatic rings, viz. (i) a phenyl ring, (ii) a 3-nitrophenyl and (iii) a 1,3-benzothiazine fused-ring system. The dihedral angle between (i) and (ii) is 85.31(15)°, between (ii) and (iii) is 81.33(15)° and between (i) and (iii) is 75.73(15)°. The six-membered 1,3-thiazine ring has an envelope conformation with the C atom in the 2-position forming the flap. In the crystal, molecules are linked by weak C - H⋯O interactions, forming a three-dimensional network.

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