2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)malononitrile

Ola K. Sakka*, Daisy H. Fleita, William T. A. Harrison

*Corresponding author for this work

Research output: Contribution to journalArticle

2 Citations (Scopus)
4 Downloads (Pure)

Abstract

In the title compound, C12H7N3OS, the essentially planar thiazole ring (r.m.s. deviation = 0.022 Å) forms dihedral angles of 84.88 (9) and 1.8 (3)° with the phenyl ring and the -C(CN)2 group (r.m.s. deviation = 0.003 Å), respectively. The molecule has approximate local C s symmetry. In the crystal, molecules are linked via C - H⋯N hydrogen bonds, forming chains propagating along [101]. The crystal studied was found to be an inversion twin with a refined 0.63 (1):0.37 (1) domain ratio.

Original languageEnglish
Pages (from-to)o350-o350
Number of pages1
JournalActa Crystallographica Section E: Structure Reports Online
Volume69
Issue number3
Early online date6 Feb 2013
DOIs
Publication statusPublished - Mar 2013

Fingerprint

malononitrile
deviation
Thiazoles
Crystals
Molecules
rings
Crystal symmetry
Dihedral angle
crystals
dihedral angle
molecules
Hydrogen bonds
inversions
hydrogen bonds
symmetry
dicyanmethane

ASJC Scopus subject areas

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

Cite this

2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)malononitrile. / Sakka, Ola K.; Fleita, Daisy H.; Harrison, William T. A.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 69, No. 3, 03.2013, p. o350-o350.

Research output: Contribution to journalArticle

@article{7a3ad6d0f3ad4a098e0885b5b062510d,
title = "2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)malononitrile",
abstract = "In the title compound, C12H7N3OS, the essentially planar thiazole ring (r.m.s. deviation = 0.022 {\AA}) forms dihedral angles of 84.88 (9) and 1.8 (3)° with the phenyl ring and the -C(CN)2 group (r.m.s. deviation = 0.003 {\AA}), respectively. The molecule has approximate local C s symmetry. In the crystal, molecules are linked via C - H⋯N hydrogen bonds, forming chains propagating along [101]. The crystal studied was found to be an inversion twin with a refined 0.63 (1):0.37 (1) domain ratio.",
author = "Sakka, {Ola K.} and Fleita, {Daisy H.} and Harrison, {William T. A.}",
note = "The authors would like to thank the American University in Cairo for providing financial support to complete this work.",
year = "2013",
month = "3",
doi = "10.1107/S160053681300216X",
language = "English",
volume = "69",
pages = "o350--o350",
journal = "Acta Crystallographica Section E: Structure Reports Online",
issn = "1600-5368",
publisher = "International Union of Crystallography",
number = "3",

}

TY - JOUR

T1 - 2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)malononitrile

AU - Sakka, Ola K.

AU - Fleita, Daisy H.

AU - Harrison, William T. A.

N1 - The authors would like to thank the American University in Cairo for providing financial support to complete this work.

PY - 2013/3

Y1 - 2013/3

N2 - In the title compound, C12H7N3OS, the essentially planar thiazole ring (r.m.s. deviation = 0.022 Å) forms dihedral angles of 84.88 (9) and 1.8 (3)° with the phenyl ring and the -C(CN)2 group (r.m.s. deviation = 0.003 Å), respectively. The molecule has approximate local C s symmetry. In the crystal, molecules are linked via C - H⋯N hydrogen bonds, forming chains propagating along [101]. The crystal studied was found to be an inversion twin with a refined 0.63 (1):0.37 (1) domain ratio.

AB - In the title compound, C12H7N3OS, the essentially planar thiazole ring (r.m.s. deviation = 0.022 Å) forms dihedral angles of 84.88 (9) and 1.8 (3)° with the phenyl ring and the -C(CN)2 group (r.m.s. deviation = 0.003 Å), respectively. The molecule has approximate local C s symmetry. In the crystal, molecules are linked via C - H⋯N hydrogen bonds, forming chains propagating along [101]. The crystal studied was found to be an inversion twin with a refined 0.63 (1):0.37 (1) domain ratio.

UR - http://www.scopus.com/inward/record.url?scp=84874927231&partnerID=8YFLogxK

U2 - 10.1107/S160053681300216X

DO - 10.1107/S160053681300216X

M3 - Article

VL - 69

SP - o350-o350

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

SN - 1600-5368

IS - 3

ER -