INTERESTING SOLVENT AREA IN CRYSTAL STRUCTURES OF TWO NATURAL ERGOT ALKALOIDS

Collection of Czechoslovak Chemical Communications | January 1, 2005| | Copyright

The structures of ergotamine bis(benzene) solvate (1) and ergocristine bis(benzene) solvate (2) are reported. Both structures crystallise in the P212121 space group with cell parameters: 1, a = 14.2968(3) [Angstrom], b = 15.4700(2) [Angstrom], c = 17.8123(4) [Angstrom], and V = 3939.57(13) [Angstrom]:^sup 3^; 2, a = 11.8358(2) [Angstrom], b = 17.6469(3) [Angstrom], c = 19.7125(3) [Angstrom], and V = 4117.25(12) [Angstrom]^sup 3^. Unexpectedly, despite the chemical similarity, structures of 1 and 2 significantly differ not only in the unit cell parameters, but also in the packing. Whereas in 1 ...

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