The asymmetric unit of the title compound, C44H44N2O6, contains two independent mol-ecules with similar conformations. The di-hydro-naphthalene ring systems are approximately planar [maximum deviations = 0.036 (2), 0.128 (2), 0.0.24 (2) and 0.075 (2) Å]. The dihedral angle between two di-hydro-naphthalene ring systems is 83.37 (4)° in one mol-ecule and 88.99 (4)° in the other. The carbonyl O atom is linked with the adjacent hy-droxy and imino groups via intra-molecular O-H⋯O and N-H⋯O hydrogen bonds. In the crystal, mol-ecules are linked through O-H⋯O hydrogen bonds into layers parallel to (001), and adjacent layers are further stacked by π-π inter-actions between di-hydro-naphthalene and phenyl rings into a three-dimensional supra-molecular architecture. In the crystal, one of the isopropyl groups is disordered over two positions with an occupancy ratio of 0.684 (8):0.316 (8).
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http://dx.doi.org/10.1107/S1600536813027281 | DOI Listing |
Acta Crystallogr E Crystallogr Commun
November 2023
Department of Chemistry, KU Leuven, Biomolecular Architecture, Celestijnenlaan 200F, Leuven (Heverlee), B-3001, Belgium.
The mol-ecular and crystal structure of ()-2-[(benzo[]thia-zol-2-yl-imino)-meth-yl]-5-(di-ethyl-amino)-phenol (CHNOS, ) and its unexpected reaction product with tri-phenyl-borane, 2,2-diphenyl-1,3-dioxa-2-borata-1,2-di-hydro-naphthalene [systematic name: ,-diethyl-2,2-diphenyl-2-1,3λ,2λ-ben-zodioxaborinin-7-amine, CHBNO, ()] are described. For , the hydroxyl group is involved in an intra-molecular hydrogen bond with the imino nitro-gen atom and the C=N bond displays an configuration. The crystal packing is characterized by layers of inversion dimers parallel to the (10) plane and chains of mol-ecule in the -axis direction formed through C-H⋯O inter-actions.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
February 2020
Drug Discovery Lab, Department of Chemistry, Annamalai University, Chidambaram 608002, Tamil Nadu, India.
In the title compound, CHClNO·HO, a benzohydrazide derivative, the dihedral angle between the mean plane of the di-hydro-naphthalene ring system and the phenyl ring is 17.1 (2)°. In the crystal, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the benzohydrazide and water mol-ecules, forming a layer parallel to the plane.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
March 2018
Department of Organic Chemistry, University of Madras, Guindy Campus, Chennai 600 025, India.
In the title compound, CHO, a 1,2-di-hydro-naphthalene derivative, the cyclo-hexa-1,3-diene ring of the 1,2-di-hydro-naphthalene ring system adopts a half-chair conformation. The mean plane of the 1,2-di-hydro-napthalene ring system makes dihedral angles of 86.23 (6) and 64.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
February 2017
Department of Organic Chemistry, University of Madras, Guindy Campus, Chennai 600 025, India.
In the title 1-oxo-1,2-di-hydro-naphthalene derivatives, CHO, (I), CHOS, (II), and CHOS, (III), the cyclo-hexa-1,3-diene rings of the 1,2-di-hydro-naphthalene ring systems adopt half-chair, boat and half-chair conformations, respectively. The carbonyl O atoms attached to the di-hydro-naphthalene ring systems are each significantly deviated from the mean plane of the 1,2-di-hydro-naphthalene ring system, by 0.6162 (12) Å in (I), 0.
View Article and Find Full Text PDFActa Crystallogr Sect E Struct Rep Online
June 2014
College of Environmental & Resource Sciences, Zhejiang University, People's Republic of China.
The title compound, C18H24O2, was isolated from the leaves extract of Ficus carica L. The cyclo-hexane ring displays a chair conformation whereas the cyclo-hexa-1,4-diene ring adopts a flattened boat conformation with methyl C atoms at the prow and stern. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds into supra-molecular chains propagated along the b-axis direction.
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