Chemical and Pharmaceutical Bulletin
Online ISSN : 1347-5223
Print ISSN : 0009-2363
ISSN-L : 0009-2363
The Crystal Structure of Securinine Hydrobromide Dihydrate and the Molecular Structure of Securinine
今戸 佐太郎城 始勇堀井 善一
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ジャーナル フリー

1965 年 13 巻 6 号 p. 643-651

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X-ray crystal structure analysis has been made on the securinine hydrobromide dihydrate, which is monoclinic, with two formula units in a cell of dimensions : α=7.71Å, b=14.83Å, C=7.04Å, and γ=112.13°. The space group is P21. The determination of the atomic parameters was carried out by the generalized projection methods. The conclusions may be summed up as follows : The piperidine ring has a skewed boat form, and the diene part is not co-planar. A dihedral angle of about 10°has been found between the plane passing through C2-, C3-, and C3a-atoms and the one involving C3a-, C4-, and C5-atoms. Discussion has been made on the location of the lone electron pair on the nitrogen atom in the free base.
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© The Pharmaceutical Society of Japan
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