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1-sec-Butyl-3-[hy-droxy(1-methyl-1H-indol-3-yl)methyl-idene]pyrrolidine-2,4-dione.

ABSTRACT: In the title compound, C(18)H(20)N(2)O(3), the dihedral angle between the indole ring system (r.m.s. deviation = 0.018?Å) and the hy-droxy-methyl-enepyrrolidine-2,4-dione plane (r.m.s. deviation = 0.036?Å) is 9.87?(7)°. The keto and enol groups are involved in an intra-molecular O-H?O hydrogen bond. An intra-molecular C-H?O inter-action also occurs. The sec-butyl group is disordered over two orientations corresponding to an approximate 180° rotation about the N-C bond, with occupancies of 0.670?(6) and 0.330?(6). In the crystal, mol-ecules are linked into chains along the c axis by C-H?O hydrogen bonds.

SUBMITTER: Xu HZ

PROVIDER: S-EPMC3008104 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

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1-sec-Butyl-3-[hy-droxy(1-methyl-1H-indol-3-yl)methyl-idene]pyrrolidine-2,4-dione.

Xu Hai-Zhen HZ Zhu You-Quan YQ

Acta crystallographica. Section E, Structure reports online 20100811 Pt 9

In the title compound, C(18)H(20)N(2)O(3), the dihedral angle between the indole ring system (r.m.s. deviation = 0.018 Å) and the hy-droxy-methyl-enepyrrolidine-2,4-dione plane (r.m.s. deviation = 0.036 Å) is 9.87 (7)°. The keto and enol groups are involved in an intra-molecular O-H⋯O hydrogen bond. An intra-molecular C-H⋯O inter-action also occurs. The sec-butyl group is disordered over two orientations corresponding to an approximate 180° rotation about the N-C bond, with occupancies of 0.670 ...[more]

PMID: 21588613

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