1-[(2-Chlorothiazol-5-yl)methyl]-N′-[2-(2,4-dichlorophenoxy)acetyl]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide
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Abstract:
In the title compound, C16H13Cl3N6O3S, the substituted triazole ring is bound via a methylene bridge to a chlorothiazole unit. There is evidence for significant electron delocalization in the triazolyl system. Both intra- and intermolecular hydrogen bonds are found in the structure.Keywords:
Electron Delocalization
Carbohydrazide
Triazole
We report herein the synthesis of 6-oxo-3-phenyl-5,6-dihydropyridazine-1(4H)-carbohydrazide from β-benzoylpropionic acid and carbohydrazide by refluxing in absolute ethanol in presence of sodium acetate. The structure of the newly synthesized compound was established on the basis of IR, 1H-NMR, 13C-NMR and mass spectral data.
Carbohydrazide
Proton NMR
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The title molecule, C 17 H 15 N 5 , adopts a Z-shaped conformation, with the benzyl and benzodiazole substituents disposed on opposite sides of the plane of the triazole ring. A three-dimensional network is generated in the crystal by a combination of C—H...N hydrogen bonds and C—H...π(ring) interactions.
Triazole
Crystal (programming language)
1,2,4-Triazole
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Carbohydrazide
Nitric acid
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R factor = 0.041; wR factor = 0.120; data-to-parameter ratio = 30.3.
Carbohydrazide
1,2,4-Triazole
Triazole
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There are significant twists in the title compound, C(16)H(15)N(3)O(2), as seen in the dihedral angle between the benzene and adjacent but-2-enal group [29.26 (4)°] and between the pyridine ring and amide group [24.79 (6)°]. A twist is also evident around the hydrazine bond [the C-N-N-C torsion angle is -138.25 (13)°]. The conformation about the ethene bond is Z. An intra-molecular N-H⋯O hydrogen bond involving the benzoyl O atom and leading to an S(6) motif is formed. Significant delocalization of π-electron density is found in this part of the mol-ecule. In the crystal, helical supra-molecular chains aligned along the b axis and mediated by N-H⋯O hydrogen bonds are formed.
Dihedral angle
Carbohydrazide
Amide
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In the title compound, C7H8Cl2N4S, the triazole ring and the thiadiazole ring are each planar and the C—N and N—N distances in the triazole ring indicate partial electron localization of the double bonds over the ring. π–π stacking interactions between the thiadiazole and triazole rings of neigboring molecules [centroid-to-centroid distance 3.8520 (15) Å] and close contacts between the N and S atoms of neighboring molecules are observed in the crystal structure.
Triazole
1,2,4-Triazole
Crystal (programming language)
Centroid
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Abstract The synthesis and characterization of some ring systems of phosphorus and boron are described. Ring systems of boron such as boroxines, silylboranes, and diborabenzenes are considered. The structural and spectroscopic data for the ring derivatives support varying degrees of electron delocalization, depending on the size of the ring. Ring systems of phosphorus such as phosphenium ions and diphosphorus cations are outlined. The importance of P-C π-bonding interactions and the heterocyclic frameworks in the stabilization of these compounds are highlighted. Finally, new heterocyclic organoboranes are reported, which result from reductions of RBX2 and with alkalai metals. All the rings and their respective derivatives have been characterized spectroscopically and the solid-state structures of some representative members were determined by X-ray crystallography. The degree of delocalization in the pertinent ring complexes are compared with theoretical models.
Electron Delocalization
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The coumarin system and the 2-hydroxybenzoyl group in the title compound, C 17 H 12 N 2 O 5 , are approximately coplanar. There are some intermolecular O—H...O hydrogen bonds and intramolecular N—H...O hydrogen bonds; the intermolecular O—H...O hydrogen bonds result in a chain along the a axis.
Carbohydrazide
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In the title compound, C(8)H(6)N(4)O(2)S, the 1,2,4-triazole ring and the nitro group form dihedral angles of 6.26 (13) and 9.5 (3)°, respectively, with the phenyl ring. In the crystal, the mol-ecules are linked via pairs of N-H⋯S hydrogen bonds, generating [010] chains which contain R(2) (2) (8) ring motifs. The crystal structure is further stabilized by π-π stacking [centroid-centroid distance = 3.5491 (14) Å] inter-actions.
Dihedral angle
Triazole
1,2,4-Triazole
Crystal (programming language)
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The sythesis of carbohydrazide, which can be used as oxygen scavenger and cross_linder for elastic_type fibers, from dimethyl carbonate and hydrazine hydrate in optimum process was reported in this paper and the IR spectrum showed good result.
Carbohydrazide
Scavenger
Hydrazine (antidepressant)
Free radical scavenger
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