Idemudia, Omoruyi G. published the artcileCrystal structure of 4-benzoyl-3-methyl-1-phenyl-2-pyrazolin-5-one sulfadiazine dimethylformamide monosolvate, C30H29N7O4S, Name: 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, the publication is Zeitschrift fuer Kristallographie – New Crystal Structures (2014), 229(4), 455-457, database is CAplus.
The crystal and mol. structure of a 4-benzoyl-3-methyl-1-phenyl-2-pyrazolin-5-one Schiff base with sulfadiazine is presented. In the asym. unit the title compound occurs together with 1 DMF solvent mol. There are 2 notable intramol. H bonds, both with O1, namely N3-H3···O1 and C12-H12···O1 that hold the phenylpyrazolone backbone essentially planar together with extended resonance. The least square plane through the atoms N1-N3, O1, C1-C3, C5, and C11-C16 has a r.m.s. of 0.0671 Å. Adjacent mols. are held together at the sulfadiazine group with 2 short N4-H4···N6 H bonds with lengths of 2.062(19) Å which in terms of graph-set anal. can be described by means of a R22(8) descriptor on the unary level. There are a large number of π···π ring interactions. The 2 shortest interactions occur with the Ph ring C31-C36 which has 2 π···π ring interactions; 1 with an adjacent pyrazole ring N1, N2, C1-C3, and 1 with the Ph ring C11-C16. The centroid to centroid distances are 4.2512(8) and 4.2530(9) Å, resp. The crystal contains the solvent DMF positionally disordered in a 0.82:0.18 ratio. Crystallog. data are given.
Zeitschrift fuer Kristallographie – New Crystal Structures published new progress about 4551-69-3. 4551-69-3 belongs to pyrazoles-derivatives, auxiliary class Benzenes, name is 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, and the molecular formula is C17H14N2O2, Name: 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one.
Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics