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(3aR*,8bR*)-3a,8b-Dihy-droxy-1-(4-methyl-phen-yl)-2-methyl-sulfanyl-3-nitro-1,8b-di-hydro-indeno-[1,2-b]pyrrol-4(3aH)-one.

ABSTRACT: The asymmetric unit of the title compound, C19H16N2O5S, contains four independent mol-ecules (A, B, C and D), with two mol-ecules (B and D) displaying disorder in their methyl-sulfanyl groups [occupancy ratios of 0.797?(11):0.203?(11) and 0.85?(2):0.15?(2)]. The nitro groups are twisted slightly out of the planes of the 2-pyrroline rings to which they are bonded with dihedral angles of 10.17?(1), 8.01?(1), 9.44?(1) and 8.87?(1)° in mol-ecules A, B, C and D, respectively. The 2-pyrroline rings are almost orthogonal to the attached tolyl rings, forming dihedral angles of 73.44?(1), 81.21?(1), 88.18?(8) and 73.94?(1)° for mol-ecules A, B, C and D, respectively. A weak intra-molecular O-H?O inter-action is observed in mol-ecules B and C. The two hy-droxy groups in each mol-ecule are involved in inter-molecular O-H?O hydrogen bonding. In the crystal, mol-ecules are connected via O-H?O and C-H?O hydrogen bonds, forming a complex three-dimensional network.

SUBMITTER: Nagalakshmi RA 

PROVIDER: S-EPMC3998437 | biostudies-literature | 2014 Mar

REPOSITORIES: biostudies-literature

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(3aR*,8bR*)-3a,8b-Dihy-droxy-1-(4-methyl-phen-yl)-2-methyl-sulfanyl-3-nitro-1,8b-di-hydro-indeno-[1,2-b]pyrrol-4(3aH)-one.

Nagalakshmi R A RA   Suresh J J   Kumar R Ranjith RR   Jeyachandran V V   Lakshman P L Nilantha PL  

Acta crystallographica. Section E, Structure reports online 20140212 Pt 3

The asymmetric unit of the title compound, C19H16N2O5S, contains four independent mol-ecules (A, B, C and D), with two mol-ecules (B and D) displaying disorder in their methyl-sulfanyl groups [occupancy ratios of 0.797 (11):0.203 (11) and 0.85 (2):0.15 (2)]. The nitro groups are twisted slightly out of the planes of the 2-pyrroline rings to which they are bonded with dihedral angles of 10.17 (1), 8.01 (1), 9.44 (1) and 8.87 (1)° in mol-ecules A, B, C and D, respectively. The 2-pyrroline rings ar  ...[more]

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