5-Cyclohexyl-4-methyl-1H-pyrazol-3(2H)-one monohydrate
نویسندگان
چکیده
In the title compound, C(10)H(16)N(2)O·H(2)O, the cyclo-hexane ring is in a chair conformation and its least-squares plane makes a dihedral angle of 53.68 (5)° with the approximately planar pyrazole ring [maximum deviation = 0.034 (1) Å]. Pairs of inter-molecular N-H⋯O hydrogen bonds form inversion dimers between neighbouring pyrazolone mol-ecules, generating R(2) (2)(8) ring motifs. The pyrazolone and water mol-ecules are further linked by inter-molecular N-H⋯O, C-H⋯O and O-H⋯O hydrogen bonds into two-dimensional sheets parallel to the bc plane.
منابع مشابه
Green and diastereoselective synthesis of trans-3-(5-methylisoxazol-3-yl)-3,4-dihydro-2H-naphtho[2,3-e][1,3]oxazines
Reaction between aromatic aldehydes and 3–methyl-1-phenyl-2-pyrazoline-5-one catalyzed by nano-SiO2/HClO4 in water under reflux provided a simple and efficient route for the synthesis of 4-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)(aryl)methyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol derivatives in high yields.
متن کامل4-{[(1,3-Benzothiazolium-2-yl)hydrazono](phenyl)methyl}-3-methyl-1-phenyl-1H-pyrazol-5-olate monohydrate
The title compound, C(24)H(19)N(5)OS·H(2)O, was synthesized by the reaction of 4-benzoyl-3-methyl-1-phenyl-pyrazol-5-one and 2-hydrazino-1,3-benzothia-zole. Proton transfer leads to the formation of a zwitterionic structure and the mol-ecule exists in the enolate form. The pyrazolone ring makes dihedral angles of 35.4 (3), 69.7 (3) and 40.1 (3)° with the 1-phenyl, indirectly bound phenyl and be...
متن کامل1,5-Dimethyl-4-{[1-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene)ethyl]amino}-2-phenyl-1H-pyrazol-3(2H)-one
In the title compound, C(23)H(23)N(5)O(2), an intra-molecular N-H⋯O hydrogen bond generates an S(6) ring, and the dihedral angle between the pyrazole rings is 48.42 (8)°. The dihedral angles between the pyrazole rings and their attached phenyl rings are 10.06 (8) and 47.53 (8)°.
متن کامل2-(4-Chlorophenyl)-4-[1-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]-5-methyl-1H-pyrazol-3(2H)-one
The title compound, C(20)H(16)Cl(2)N(4)O, has two mol-ecules in the asymmetric unit. The two five-membered rings form a dihedral angle of 54.2 (3)° in one mol-ecule and 56.8 (3)° in the other independent mol-ecule. The amino group of the dihydro-pyrazolone unit of one mol-ecule acts as a hydrogen-bond donor to the carbonyl group of the dihydro-pyrazolone system of the other mol-ecule. The resul...
متن کاملThree substituted 4-pyrazolylbenzoates: hydrogen-bonded supramolecular structures in one, two and three dimensions.
The molecules of ethyl 4-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoate, C13H15N3O2, are linked by two independent N-H...O hydrogen bonds into a chain of edge-fused and alternating R(4)2(8) and R(2)2(20) rings. A combination of N-H...N and N-H...O hydrogen bonds links the molecules of methyl 4-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)benzoate, C15H19N3O2, into sheets of alternating R(2)2(20) and R(6)6...
متن کامل