N-Carbethoxy-N′-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]thiourea

نویسندگان

  • Anton V. Dolzhenko
  • Geok Kheng Tan
  • Lip Lin Koh
  • Anna V. Dolzhenko
  • Wai Keung Chui
چکیده

THE TITLE COMPOUND, [SYSTEMATIC NAME: ethyl ({[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]amino}carbonothioyl)carbamate], C(13)H(16)N(5)O(2)S, exists in the 3-aryl-5-thio-ureido-1H-1,2,4-triazole tautomeric form. The mol-ecular structure is stabilized by intra-molecular hydrogen bonding (N-H⋯S=C between the endocyclic N-bound H atom and the thio-ureido S atom, and N-H⋯O=C within the ethoxy-carbonyl-thio-urea unit), both arranged in an S(6) graph-set motif. The mean planes of the phenyl and 1,2,4-triazole rings make a dihedral angle of 6.59 (10)°. In the crystal structure, the mol-ecules form two types of centrosymmetric dimers connected by inter-molecular hydrogen bonds; in the first, the N-NH triazole sides of two mol-ecules are connected [R(2) (2)(6) graph-set motif] and the second is an N-H⋯S=C inter-action between the imide H atoms and the thio-carbonyl S atoms [R(2) (2)(8) graph-set motif]. Together, they form a network parallel to the (111) plane.

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

N-Carbethoxy-N′-(3-phenyl-1H-1,2,4-triazol-5-yl)thiourea

The title compound {systematic name: ethyl N-[N-(3-phenyl-1H-1,2,4-triazol-5-yl)carbamothio-yl]carbamate}, C(12)H(13)N(5)O(2)S, exists in the 3-phenyl-5-thio-ureido-1H-1,2,4-triazole tautomeric form stabilized by intra-molecular hydrogen bonding between the endocyclic NH H atom and the thio-ureido S atom. The mol-ecular structure is also stabilized by intra-molecular N-H⋯O=C hydrogen bonds arra...

متن کامل

Synthesis, Anti-bacterial and Anti-fungal evaluation of 3-(Substitutedphenyl)-N-(4H-1,2,4-triazol-4 yl)acrylamide

The Series of 3-(Substitutedphenyl)-N-(4H-1,2,4-triazol-4-yl)acrylamide compounds were prepared byreaction of 4-amino-1,2,4-Triazole with Acetyl Chloride followed by Claisen-Schmidt Condensation reactionwith different aromatic aldehydes. The structures of new compounds were confirmed by IR, 1H-NMR and13C-NMR spectral data. Anti-bacterial and Anti-fungal activities were evaluated and compared wi...

متن کامل

Diaqua­bis­{3-[4-(1H-imidazol-1-yl)phenyl]-5-(pyridin-2-yl-κN)-1H-1,2,4-triazol-1-ido-κN 1}zinc

The centrosymmetric mol-ecule of the title compound, [Zn(C(16)H(11)N(6))(2)(H(2)O)(2)], contains one Zn(2+) ion located on a center of symmetry, two 3-[4-(1H-imidazol-1-yl)phen-yl]-5-(pyridin-2-yl)-1H-1,2,4-triazol-1-ide (Ippyt) ligands and two coordinating water mol-ecules. The Zn(II) ion is six-coordinated in a distorted octa-hedral coordination geometry by four N atoms from two Ippyt ligands...

متن کامل

Diaqua­bis­{5-(pyridin-2-yl-κN)-3-[4-(pyridin-4-yl)phen­yl]-1H-1,2,4-triazol-1-ido-κN 1}iron(II)

In the centrosymmetric title complex, [Fe(C18H12N5)2(H2O)2], the Fe(II) ion, lying on an inversion centre, is coordinated by two N,N'-bidentate 5-(pyridin-2-yl)-3-[4-(pyridin-4-yl)phen-yl]-1H-1,2,4-triazol-1-ide ligands and two water mol-ecules in a trans-FeO2N4 geometry. In the ligand, the triazole ring makes dihedral angles of 5.21 (18) and 6.7 (2)°, respectively, with the adjacent pyridine a...

متن کامل

Diaqua­bis­{5-(pyridin-2-yl-κN)-3-[4-(pyridin-4-yl)phen­yl]-1H-1,2,4-triazol-1-ido-κN 1}cobalt(II)

In the centrosymmetic title complex, [Co(C18H12N5)2(H2O)2], the Co(II) ion is coordinated by two N,N'-bidentate 5-(pyridin-2-yl)-3-[4-(pyridin-4-yl)phen-yl]-1H-1,2,4-triazol-1-ide ligands and two water mol-ecules in a trans-CoO2N4 coordination geometry. In the ligand, the dihedral angles between the triazole ring and its adjacent pyridine and benzene rings are 5.57 (14) and 6.89 (16)°, respecti...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

عنوان ژورنال:

دوره 66  شماره 

صفحات  -

تاریخ انتشار 2010