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5-Methyl-1-[(4-methyl-phen-yl)sulfon-yl]-1H-pyrazol-3-yl 4-methyl-benzene-sulfonate.

ABSTRACT: In the title compound, C(18)H(18)N(2)O(5)S(2), the tolyl rings are oriented at a dihedral angle of 16.15?(11)° with respect to one another. The 5-methyl-1H-pyrazol-3-ol ring is roughly planar (r.m.s. deviation = 0.0231?Å) and subtends angles of 73.82?(8) and 89.85?(8)° with the tolyl rings. In the crystal, very weak ?-? inter-actions between tolyl groups, with centroid-centroid distances of 4.1364?(19) and 4.0630?(16)?Å, together with a C-H?? contact generate a three-dimensional network.

SUBMITTER: Murtaza S

PROVIDER: S-EPMC3393995 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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5-Methyl-1-[(4-methyl-phen-yl)sulfon-yl]-1H-pyrazol-3-yl 4-methyl-benzene-sulfonate.

Murtaza Shahzad S Kausar Naghmana N Tahir M Nawaz MN Tariq Javaria J Bibi Samaira S

Acta crystallographica. Section E, Structure reports online 20120623 Pt 7

In the title compound, C(18)H(18)N(2)O(5)S(2), the tolyl rings are oriented at a dihedral angle of 16.15 (11)° with respect to one another. The 5-methyl-1H-pyrazol-3-ol ring is roughly planar (r.m.s. deviation = 0.0231 Å) and subtends angles of 73.82 (8) and 89.85 (8)° with the tolyl rings. In the crystal, very weak π-π inter-actions between tolyl groups, with centroid-centroid distances of 4.1364 (19) and 4.0630 (16) Å, together with a C-H⋯π contact generate a three-dimensional network. ...[more]

PMID: 22798860

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