2017
DOI: 10.2116/xraystruct.33.3
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Crystal Structure of (<i>Z</i>)-1-[4-(Trifluoromethyl)benzylidene]thiosemicarbazide

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Cited by 5 publications
(4 citation statements)
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“…4, Fig. 5 to be used as complementary data for crystal of ( Z )-1-[4-(trifluoromethyl)benzylidene]thiosemicarbazide [1] with CCDC:1507979 and were supported by other previous publications [2,3]. Both Fig.…”
Section: Datasupporting
confidence: 59%
“…4, Fig. 5 to be used as complementary data for crystal of ( Z )-1-[4-(trifluoromethyl)benzylidene]thiosemicarbazide [1] with CCDC:1507979 and were supported by other previous publications [2,3]. Both Fig.…”
Section: Datasupporting
confidence: 59%
“…In continuation of our research to develop coordination chemistry of thiosemicarbazones and their transition metal complexes [ 10 , 11 ], a new Ni(II) complex, namely, bis{2-(2-trifluoromethylbenzylidene)hydrazine-1-carbothioamido- κ 2 N 2 , S} nickel(II), NiL 2 containing (trifluoromethyl)benzene, and thiosemicarbazone moieties have been synthesized, characterized, and computationally optimized using B3LYP level of density function theory (DFT) with LANL2DZ/6-311G ( d , p ) basis sets. The experimental X-ray crystallographic structure of the Ni(II) complex also has been correlated with the corresponding structure optimized at DFT/B3LYP/LANL2DZ/6-311G ( d , p ) level.…”
Section: Introductionmentioning
confidence: 99%
“…Both sequences are a common conformation for thiosemicarbazide derivatives, as since several molecular structures have been reported with similar configurations. 10,11 The phenyl moiety (defined by C1/C2/C3/C4/C5/C6) and thiosemicarbazide moiety (defined by N3/N2/C7(S1)/N1/C6) fragments were essentially planar with a maximum deviation of 0.005(2)Å for the C4 atom and 0.013(2)Å for the N2 atom, respectively. Both fragments had a dihedral angle of 69.60 (9) .…”
Section: Crystal Structure Of (Z)-4-[4-fluorophenyl]thiosemicarbazidementioning
confidence: 99%