ISSN:
1573-1111
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The crystal structures of layered clathrate inclusion compounds of Ni(CNS)2 (4-methylpyridine)4 with 1-bromonaphthalene (I) and azulene (II) were analyzed by x-ray single-crystal diffractometry [crystal data: I−C46H42N6S2Br2Ni; a=11.88(1), b=11.82(1), c=32.79(3), β=102.0(1), Z=4, P21/c; II−C46H44N6S2Ni; a=11.51(2), b=11.64(1), c=32.98(2), β=103.4, Z=4, P21/n]. Disordering of guest molecules in I is concluded, based on x-ray study, and positions of the guest (each of the two symmetry independent molecules disordered over two orientations) have been refined. In II disoder of guest-azulene is also observed but only one from the two symmetrically independent guest molecules could be located from the x-ray data. The empirical force field calculations were performed for I and II. The results were used for location of the second azulene molecule and for discussion of the disorder mole (short or long-range).
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00663272
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