TY - JOUR
T1 - Crystal structure of 4-{[(cyanoimino)(methyl-sulfanyl)methyl]amino}-1, 5-dimethyl-2-phenyl-2, 3-dihydro-1 H-pyrazol-3-one
AU - Elgemeie, Galal H.
AU - Abouzeid, Mamdouh
AU - Jones, Peter G.
AU - Parkin, S.
PY - 2015/1/1
Y1 - 2015/1/1
N2 - In the title compound, C14H15N5OS, the tautomer present in the solid state is that in which the immediately exocyclic N atom bears the H atom. The central five-membered ring is almost planar (r.m.s. deviation = 0.025 Å), but both its N atoms are significantly pyramidalized. A classical hydrogen bond from the N - H group to the cyanide N atom forms inversion-symmetric dimers, which are further linked by C - H⋯O interactions.
AB - In the title compound, C14H15N5OS, the tautomer present in the solid state is that in which the immediately exocyclic N atom bears the H atom. The central five-membered ring is almost planar (r.m.s. deviation = 0.025 Å), but both its N atoms are significantly pyramidalized. A classical hydrogen bond from the N - H group to the cyanide N atom forms inversion-symmetric dimers, which are further linked by C - H⋯O interactions.
KW - Crystal structure
KW - Hydrogen bond
KW - Pyrazole
KW - Thio-carbamate
UR - http://www.scopus.com/inward/record.url?scp=84928168501&partnerID=8YFLogxK
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U2 - 10.1107/S2056989014027601
DO - 10.1107/S2056989014027601
M3 - Article
AN - SCOPUS:84928168501
SN - 1600-5368
VL - 71
SP - 104
EP - 106
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
IS - 1
ER -