Polymorphism of Crystalline Inclusion Complexes and Unsolvated Hosts. Part 8 View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

1999-12

AUTHORS

B. T. Ibragimov, K. K. Makhkamov, K. M. Beketov

ABSTRACT

Crystallization of cyclotriveratrylene (CTV) from solutions in acetone at 40°C gave a new 4 : 1 host-guest complex instead of the conventional 2 : 1 clathrate (β-phase) whose X-ray crystal structure was determined. Data for 2(C27H30O6) · 0.5(CO(CH3)2): monoclinic, P21/c, a = 18.942(4), b = 24.697(5), c = 10.508(2) Å, β = 91.10(2)°, V = 4915(2) Å3, Z = 8, Dx = 1.257 g/cm3, T = 293 K, R = 0.077 (for 2694 reflections). One of the two crystallographically independent CTV molecules (molecule A) is stacked into columns characteristic of the CTV α- or β-phase complexes. Molecules B face each other enclathrating inside around the inversion center disordered acetone molecules giving rise to the molecular capsule. The acetone molecule is H-bonded simultaneously to both host molecules by C(H2)--H ··· O type bonds forming centrosymmetric dimers. Dimers are incorporated together with two A molecules into centrosymmetric units also by C(H2)--H ··· O type H-bonds. Packing of these units gives rise to the crystal structure of the clathrate. More... »

PAGES

583-593

Identifiers

URI

http://scigraph.springernature.com/pub.10.1023/a:1008000713645

DOI

http://dx.doi.org/10.1023/a:1008000713645

DIMENSIONS

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