2-(1H-Indol-3-ylmethylene)indane-1-one (original) (raw)
3-Hydroxy-3-(2-oxo-2,3-dihydro-1H-indol-3-yl)-2,3-dihydro-1H-indol-2-one
IUCrData, 2017
The conformation of the title molecule, C16H12N2O3, is partly determined by an intramolecular C=O...π interaction between one carbonyl group and the five-membered ring of the other indolinone moiety. The crystal packing consists of layers parallel to (001) formed by a combination of N—H...O and O—H...O hydrogen bonds and π–π stacking interactions. Both the N—H...O and O—H...O hydrogen bonds generate inversion dimers.
Acta Crystallographica Section E Structure Reports Online, 2010
Key indicators: single-crystal X-ray study; T = 293 K; mean (C-C) = 0.004 Å; R factor = 0.034; wR factor = 0.118; data-to-parameter ratio = 8.3.
(2 E )-2-[(2 E )-3-Phenylprop-2-en-1-ylidene]-2,3-dihydro-1 H -inden-1-one
Acta Crystallographica Section E Structure Reports Online, 2012
The title indan-1-one derivative, C 18 H 14 O, is planar with an r.m.s. deviation for all 19 non-H atoms of 0.098 A ˚. The conformation about each of the C C bonds [1.343 (3) and 1.349 (3) A ˚] is E. Supramolecular layers in the bc plane, mediated by C-HÁ Á ÁO and -[ring centroid-centroid distance = 3.5282 (15) A ˚] interactions, feature in the crystal packing. organic compounds o814 Asiri et al.
2014
Two independent molecules that differ in terms of rotation about the central S-N bond comprise the asymmetric unit of the title compound 1. The molecules have a V-shape with the dihedral angles between the fused ring system and benzene ring being 79.08(6)° and 72.83(5)°, respectively. The packing is mostly driven by ••• interactions occurring between the tolyl ring of one molecule and the C 6 ring of the indole fused ring system of the other. DFT and IRC calculations for these and related 1-(arylsulfonyl)indole molecules showed that the rotational barrier about the S-N bond between conformers is within the 2.5-5.5 kcal/mol range. Crystal data for C 16 H 13 NO 3 S (1):
Molecular structure studies of (1S,2S)-2-benzyl-2,3-dihydro-2-(1H-inden-2-yl)-1H-inden-1-ol
Journal of molecular structure, 2015
The single enantiomer (1S,2S)-2-benzyl-2,3-dihydro-2-(1H-inden-2-yl)-1H-inden-1-ol (2), has recently been synthesized and isolated from its corresponding diastereoisomer (1). The molecular and crystal structures of this novel compound have been fully analyzed. The relative and absolute configurations have been determined by using a combination of analytical tools including X-ray crystallography, X-ray Powder Diffraction (XRPD) analysis and Nuclear Magnetic Resonance (NMR) spectroscopy.