Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 1 (January 2013)


organic compounds



Acta Cryst. (2013). C69, 90-92    [ doi:10.1107/S0108270112049906 ]

True symmetry or pseudosymmetry: 5-amino-1-(4-methyl­phenyl­sulfonyl)-4-pyrazolin-3-one and a comparison with its 1-phenyl­sulfonyl analogue

G. H. Elgemeie, S. H. Sayed and P. G. Jones

Abstract: The title compound, C10H11N3O3S, (I), crystallizes as the NH tautomer. The two rings subtend an inter­planar angle of 72.54 (4)°. An intra­molecular hydrogen bond is formed from the NH2 group to a sulfonyl O atom. The mol­ecular packing involves layers of mol­ecules parallel to the bc plane at x [asymptotically equal to] 0, 1 etc., with two classical linear hydrogen bonds (amino-sulfonyl and pyrazoline-carbonyl N-H...O) and a further inter­action (amino-sulfonyl N-H...O) completing a three-centre system with the intra­molecular contact. The analogous phenyl derivative, (II) [Elgemeie, Hanfy, Hopf & Jones (1998). Acta Cryst. C54, 136-138], crystallizes with essentially the same unit cell and packing pattern, but with two independent mol­ecules that differ significantly in the orientation of the phenyl groups. The space group is P21/c for (I) but P21 for (II), which is thus a pseudosymmetric counterpart of (I).

Formula: C10H11N3O3S


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