Published 1995
| Version v1
Journal article
Synthesis, NMR, molecular modeling and X-ray analysis of a new 1,2,3-tri(4-quinolyl)cyclopropane
Creators
- 1. Grenoble-1 Univ., 38 (France)
Description
The structure of trans-1,2,3-tri(4-quinolyl)cyclopropane has been determined by homonuclear 1H-1H COSY and heteronuclear 13C-1H chemical shift correlation spectroscopy. This was confirmed by NOE (differential NOE and NOESY). The crystal structure (space group (C2/C), a = 26.194(2), b 7.912(2), c = 23.830(1) A, β = 96.11(3)deg) was solved by X-ray diffraction using the direct method and refined by a least squares procedure. This led to an R factor of 0.065 for 2 810 independent reflections. The spatial arrangement of the quinoline rings observed by X-ray and that obtained by computer modeling are conformationally consistent. (authors). 13 refs., 4 figs., 5 tabs
Additional details
Publishing Information
- Journal Title
- Bulletin de la Societe Chimique de France
- Journal Volume
- 132
- Journal Issue
- 4
- Journal Page Range
- p. 417-422.
- ISSN
- 0037-8968
- CODEN
- BSCFAS
INIS
- Country of Publication
- France
- Country of Input or Organization
- France
- INIS RN
- 27018891
- Subject category
- S36: MATERIALS SCIENCE; S36: MATERIALS SCIENCE; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- CALCULATION METHODS; CHEMICAL PREPARATION; COMPUTERIZED SIMULATION; COUPLING CONSTANTS; CRYSTAL STRUCTURE; CYCLOALKANES; NUCLEAR MAGNETIC RESONANCE; QUINOLINES; SULFONAMIDES; VAN DER WAALS FORCES; X-RAY DIFFRACTION
- Descriptors DEC
- ALKANES; AMIDES; ANTI-INFECTIVE AGENTS; ANTIMICROBIAL AGENTS; AROMATICS; AZAARENES; AZINES; COHERENT SCATTERING; DIFFRACTION; DRUGS; HETEROCYCLIC COMPOUNDS; HYDROCARBONS; MAGNETIC RESONANCE; ORGANIC COMPOUNDS; ORGANIC NITROGEN COMPOUNDS; ORGANIC SULFUR COMPOUNDS; PYRIDINES; RESONANCE; SCATTERING; SIMULATION; SYNTHESIS