新規な8,8-ジシアノヘプタフルベン誘導体の合成と結晶構造
書誌事項
- タイトル別名
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- Synthesis and Crystal Structure of a Novel Derivative of 8,8-Dicyanoheptafulvene
説明
Reaction of dispiro[cyclohexane-1,1'-(1',7'-dihydrocyclopenta[f]azlenium-7',1"-cyclohexane] perchlorate with bromomalonitrile in the presence of pyridine in dichlromethane provided 4'-(dicycanomethylidene)dispiro[cyclohexane-1,1'-(1',4'.7'-trihydrocyclopenta[f]azlene-7',1"-cyclohexane],in 14% yield. Its solid state structure was elucidated by X-ray crystallographic analysis. In the lattice two independent molecules exist with slightly differentbond angles and lengths. The central seven-membered ring has a boat form with the average bendingangles of 29° at the bow and 10° at the stern. The average exocyclic C-C bouble bond is 1.385 Å long. These values are close to the means between those of the planar parent of 8,8-dicyanoheptafulvene and 8,8-dicyano-1,6-dimethylheptafulvene, respectively. Ab initio calculations of various 1,6-disubstituted 8,8-dicyanoheptafulvene derivatives predicts thatthe seve-membered ring of 8,8-dicyanoheptafulvenes can change their form in variation of their bending angles and the exocyclic double bond lengths, depending on their substituents.
収録刊行物
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- 基礎有機化学討論会要旨集（基礎有機化学連合討論会予稿集）
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基礎有機化学討論会要旨集（基礎有機化学連合討論会予稿集） 16 (0), 2057-2057, 2002
基礎有機化学会（基礎有機化学連合討論会）
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- CRID
- 1390001205555254784
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- NII論文ID
- 130004644742
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- データソース種別
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- JaLC
- CiNii Articles
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