THE CRYSTAL AND MOLECULAR STRUCTURE OF THE POTENTIAL ANTIBACTERIAL AGENT 2-PYRIDYL-PHENYL SULPHONE
作者:
Giuliano Bandoli,
Sandro Calogero,
Domenico Idá,
GiuseppeC. Pappalardo,
Giuseppe Scarlata,
期刊:
Phosphorus and Sulfur and the Related Elements
(Taylor Available online 1979)
卷期:
Volume 7,
issue 3
页码: 265-270
ISSN:0308-664X
年代: 1979
DOI:10.1080/03086647908077478
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
Crystals of 2-pyridyl-phenyl sulphone are monoclinic, space group P21/c, with eight molecules in the unit cell of dimensionsa= 11.781,b= 5.903,c= 29.748 Å and B = 94.13°. The dihedral angles between the best planes of the two aromatic rings are significantly different in two crystallographically independent molecules (88.4° and 71.9° for moleculeAand moleculeB, respectively), as well as those between the CSC plane and the pyridine ring (59.4° and 67.4°) and between the CSC plane and the phenyl ring (51.7° and 81.8°). The average bond distances of interest include C‒S 1.77(1) and S‒O 1.44(1) Å; among the bond angles there are CSO = 108.1(7), CSC = 105.0(6) and OSO = 118.7(6)°. The packing of the molecule in the crystal is determined by the van der Waals interactions and by two intermolecular H‒O contacts of 2.43 and 2.49 Å. The observed conformation in the solid state agrees well with results of previous investigations, in the solution state, by means of dipole moment method and theoretical M.O. calculations, for the analogous di-2-pyridyl sulphone.
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