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Crystal structure, DFT study and Hirshfeld surface analysis of 1-nonyl-2,3-di-hydro-1H-indole-2,3-dione.

ABSTRACT: In the title mol-ecule, C₁₇H₂₃NO₂, the di-hydro-indole portion is planar (r.m.s. deviation = 0.0157?Å) and the nonyl substituent is in an 'extended' conformation. In the crystal, the nonyl chains inter-calate and the di-hydro-indole-dione units are associated through C-H?O hydrogen bonds to form micellar blocks. Based on the Hirshfeld surface analysis, the most important inter-molecular inter-action is the H?H inter-action.

SUBMITTER: Rayni I

PROVIDER: S-EPMC6690466 | biostudies-literature | 2019 Aug

REPOSITORIES: biostudies-literature

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Crystal structure, DFT study and Hirshfeld surface analysis of 1-nonyl-2,3-di-hydro-1H-indole-2,3-dione.

Rayni Ibtissam I El Bakri Youness Y Lai Chin-Hung CH Sebhaoui Jihad J Essassi El Mokhtar EM Mague Joel T JT

Acta crystallographica. Section E, Crystallographic communications 20190712 Pt 8

In the title mol-ecule, C17H23NO2, the di-hydro-indole portion is planar (r.m.s. deviation = 0.0157 Å) and the nonyl substituent is in an 'extended' conformation. In the crystal, the nonyl chains inter-calate and the di-hydro-indole-dione units are associated through C-H⋯O hydrogen bonds to form micellar blocks. Based on the Hirshfeld surface analysis, the most important inter-molecular inter-action is the H⋯H inter-action. ...[more]

PMID: 31417780

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