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4-Hy-droxy-2-[(4-iodo-benzo-yl)meth-yl]-3-(3-meth-oxy-benzo-yl)-2H-1,2-benzothia-zine 1,1-dioxide.

ABSTRACT: In the title mol-ecule, C(24)H(18)INO(6)S, the heterocyclic thia-zine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.381?(5) and -0.449?(5)?Å, respectively, from the plane formed by the remaining atoms in the ring; the puckering parameters are Q = 0.550?(2)?Å, ? = 61.7?(2)° and ? = 31.4?(3)°. The conformation is stabilized by an intra-molecular O-H?O hydrogen bond. The two nonfused benzene rings lie almost parallel to each other [dihedral angle = 9.18?(4)°], with a separation of 3.754?(2)?Å between the centres of gravity of the two rings, indicating strong ?-? inter-actions.

SUBMITTER: Gul S

PROVIDER: S-EPMC3008120 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

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4-Hy-droxy-2-[(4-iodo-benzo-yl)meth-yl]-3-(3-meth-oxy-benzo-yl)-2H-1,2-benzothia-zine 1,1-dioxide.

Gul Salman S Siddiqui Hamid Latif HL Ahmad Matloob M Parvez Masood M

Acta crystallographica. Section E, Structure reports online 20100818 Pt 9

In the title mol-ecule, C(24)H(18)INO(6)S, the heterocyclic thia-zine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.381 (5) and -0.449 (5) Å, respectively, from the plane formed by the remaining atoms in the ring; the puckering parameters are Q = 0.550 (2) Å, θ = 61.7 (2)° and ϕ = 31.4 (3)°. The conformation is stabilized by an intra-molecular O-H⋯O hydrogen bond. The two nonfused benzene rings lie almost parallel to each other [dihedral angle = 9.18 (4)°], with a ...[more]

PMID: 21588673

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