4-[N,N-Bis(2-hydroxyimino-2-phenylethyl)amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one monohydrate.
نویسندگان
چکیده
The title compound, C27H27N5O3 H2O, is built up from pyrazolinone, phenyl and acetophenone oxime moieties. The 2-phenyl substituent is nearly perpendicular to the pyrazolinone ring, with a dihedral angle of 87.66 (1) . The acetophenone oxime moieties are twisted out of the pyrazolinonering plane by 47.04 (1) . The molecules in the crystal pack in an antiparallel fashion and are held together by hydrogenbonded water molecules and intermolecular OÐH O and OÐH N hydrogen bonds.
منابع مشابه
Synthesis, Characterization and Anti-Breast Cancer Activity of New 4-Aminoantipyrine-Based Heterocycles
4-Aminoantipyrine was utilized as key intermediate for the synthesis of pyrazolone derivatives bearing biologically active moieties. The newly synthesized compounds were characterized by IR, 1H- and 13C-NMR spectral and microanalytical studies. The compounds were screened as anticancer agents against a human tumor breast cancer cell line MCF7, and the results showed that (Z)-4-((3-amino-5-imino...
متن کامل1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-aminium bromide monohydrate
In the title hydrated mol-ecular salt, C(11)H(14)N(3)O(+)·Br(-)·H(2)O, the Br(-) anion is split and appears as two independent half-occupied Br(-) anions on twofold rotation axes. The dihedral angle between the phenyl ring and the mean plane of the 2,3-dihydro-1H-pyrazole ring (r.m.s. devation = 0.014 Å) is 62.43 (7)°. In the crystal, the components are connected via O-H⋯Br and N-H⋯O hydrogen b...
متن کامل4-((E)-{2-[N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carboximidoyl]benzylidene}amino)-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
The title compound, C(30)H(28)N(6)O(2), is a symmetric diimine derived from ortho-dibenzaldehyde. Both C=N bonds are (E)-configured. The terminal N-bonded phenyl groups adopt staggered conformations relative to their respective parent heterocycles, the relevant least-squares planes inter-sect at angles of 32.35 (11) and 38.59 (10)°. In the crystal, C-H⋯O contacts connect the mol-ecules into cha...
متن کامل1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-aminium chloride–thiourea (1/1)
In the title compound, C(11)H(14)N(3)O(+)·Cl(-)·CH(4)N(2)S, the components are connected into a two-dimensional polymeric structure parallel to (001) via N-H⋯Cl, N-H⋯O, N-H⋯S and C-H⋯S hydrogen bonds. The dihedral angle between the phenyl and 2,3-dihydro-1H-pyrazole rings is 44.96 (7)°.
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)°.
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ورودعنوان ژورنال:
- Acta crystallographica. Section C, Crystal structure communications
دوره 60 Pt 8 شماره
صفحات -
تاریخ انتشار 2004