6-Chloroquinoline is orthorombic, with four molecules in the unit cell; space group is Pca21 and lattice constants are a = 12,46, b = 3.86, c = 15.81 Å. The crystal structure was determined by two-dimensional Patterson and Fourier syntheses and refined by least squares method, using three-dimensional Weissenberg intensity data. The final reliability index was 0.066 for the observed reflexions. The molecules are planar and are stacked in columns with an intermolecular spacing of 3.49 Å.
Referenze Bibliografiche
[1] MERLINO S., La struttura della 2-Clorochinolina, «Rend. Acc. Naz. Lincei», 34, 665 (1963).
[2]
MERLINO S.,
Raffinamento a bassa temperatura della struttura cristallina della 2-Clorochinolina, «
Rend. Acc. Naz. Lincei» (
1968). |
fulltext bdim[3] BUSING W. R., MARTIN K. O. e LEVY H. A., ORFLS, A Fortran Crystallographic Least-Squares Program. ORNL-TM-305, Oak Ridge National Laboratory, Tennessee 1962.
[4] CRUICKSHANK D. W. J., Computing Methods and the Phase Problem in X-ray Crystal Analysis, p. 32. Oxford: Pergamon Press 1961.
[5] LINGAFELTER E. C. e DONOHUE J., Degeneracy between interlayer scale factors and bii in structure refinement, «Acta Cryst.», 20, 321 (1966).
[6] International Tables for X-ray Crystallography, Vol. III, p. 202. Birmingham: Kynoch Press 1962.
[7] BUSING W. R., MARTIN K. O. e LEVY H. A., ORFFE, A Fortran Crystallographic Function and Error Program. ORNL-TM-3o6, Oak Ridge National Laboratory, Tennessee 1964.
[8] HAMEKA H. F. e LIQUORI A. M., Structure of heterocyclic molecules containing nitrogen. III. On the configuration of nitrogen in conjugated systems, «Proc. Kon. Akad. v. Wetensch. Amsterdam», B 59, 242 (1956).
[9] SCHOMAKER V., WASER J., MARSH R. E. e BERGMAN G., To fit a plane or a line to a set of points by least squares, «Acta Cryst.», 12, 600 (1959).
Con il contributo del Ministero per i Beni e le Attività Culturali