5-Ethyl-4-phenyl-1H-pyrazol-3(2H)-one
نویسندگان
چکیده
The asymmetric unit of the title compound, C(11)H(12)N(2)O, consists of two crystallographically independent mol-ecules (A and B) with similar geometries. Both mol-ecules exist in a keto form, the C=O bond length being 1.286 (2) Å in A and 1.283 (2) Å in B. The dihedral angles between the pyrazole ring and the attached phenyl ring are 43.28 (12) and 46.88 (11)°, respectively, for A and B. The ethyl unit in mol-ecule B is disordered over two positions with a site-occupancy ratio of 0.508 (5):0.492 (5). In the crystal, each of the independent mol-ecules forms a centrosymmetric dimer with an R(2) (2)(8) ring motif through a pair of N-H⋯O hydrogen bonds. These dimers are further connected into a three-dimensional network by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds. Inter-molecular C-H⋯π inter-actions are also present.
منابع مشابه
Synthesis, Spectroscopy and Electrochemistry of New 3-(5-Aryl-4,5-Dihydro-1H-Pyrazol-3-yl)-4-Hydroxy-2H-Chromene-2-One 4, 5 as a Novel Class of Potential Antibacterial and Antioxidant Derivatives
3-((2E)-3(aryl)prop-2-enoyl)-2H-chromen-2-one 3 was synthesized from 4-hydroxy coumarin by refluxing 3-acetyl-4-hydroxy coumarin with aromatic aldehydes in chloroform in the presence of a catalytic amount of piperidine. 3 was converted to pyrazoles 4, 5 by treatment with hydrazine and phenylhydrazine in toluene, respectively. The structures of the new compounds were confirmed by elemental analy...
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 کامل1,5-Dimethyl-2-phenyl-1H-pyrazol-3(2H)-one–4,4′-(propane-2,2-diyl)bis[1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one] (1/1)
The asymmetric unit of the title compound, C11H12N2O·C25H28N4O2, contains two different mol-ecules. The smaller is known as anti-pyrine [systematic name: 1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one] and the larger is built up from two antypirine mol-ecules which are connected through a C atom of the pyrazolone ring to a central propanyl part [systematic name: 4,4'-(propane-2,2-di-yl)bis-[1,5-dim...
متن کامل1-Allyl-4-(1,3-benzothiazol-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one
The title compound, C(20)H(17)N(3)OS, is a 1H-pyrazol-3(2H)-one having aromatic 4-(1,3-benzothia-zol-2-yl)- and 2-phenyl substituents. The five-membered ring and fused ring system are planar, the r.m.s. deviations being 0.021 and 0.005 Å, respectively. The five-membered ring is aligned at 7.9 (2)° with respect to the fused-ring system. The allyl and phenyl parts of the mol-ecule are both disord...
متن کامل4-(1,3-Benzothiazol-2-yl)-5-methyl-2-phenyl-1-propynyl-1H-pyrazol-3(2H)-one
The title compound, C(20)H(15)N(3)OS, is a 1H-pyrazol-3(2H)-one having aromatic 4-(1,3-benzothia-zol-2-yl) and 2-phenyl substit-uents. The five-membered ring and the fused-ring system are close to planar, the r.m.s. deviations being 0.025 and 0.005 Å, respectively. The five-membered ring is aligned at 67.5 (1)° with respect to the phenyl ring and at 4.7 (1)° with respect to the fused-ring syste...
متن کاملEthylenediammonium bis(5-methyl-3-oxo-2-phenyl-2,3-dihydropyrazol-1-ide): a hydrogen-bond-supported supramolecular ionic assembly
The title compound, C(2)H(10)N(2) (2+)·2C(10)H(9)N(2)O(-), is composed of deprotonated 5-methyl-2-phenyl-1H-pyrazol-3(2H)-one anions (PMP(-)) and protonated ethyl-enediamine cations (H(2)en(2+)). The ethyl-enediammonium ion is located on a crystallographic inversion center. The dihedral angle between the phenyl and pyrazole rings is 39.73 (8)°. The two components are connected through N-H⋯O and...
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عنوان ژورنال:
دوره 67 شماره
صفحات -
تاریخ انتشار 2011