3′-Aminocyclohexanespiro-5′-hydantoin–phenylboronic acid (1/1)
✍ Scribed by Shivachev, Boris ;Petrova, Rosica ;Naydenova, Emilia
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 199 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
✦ Synopsis
In the crystal structure of the title compound [systematic name: 3-amino-1,3-diazaspiro[4.5]decane-2,4-dione-phenylboronic acid (1/1)], C 8 H 13 N 3 O 2 ÁC 6 H 7 BO 2 , molecules are held together by O-HÁ Á ÁO, N-HÁ Á ÁO and C-HÁ Á ÁO hydrogen bonds and by an N-HÁ Á Á interaction.
📜 SIMILAR VOLUMES
At 150 K, the tricyclic core of the title compound, C 34 H 31 NO 3 , is close to planar. One of the three 4-methoxyphenyl substituents is twisted out of the plane of the tricyclic core due to steric congestion.
The title compound, C 19 H 23 N 3 O 5 , adopts the keto±amine tautomeric form and the con®guration around the ÐN NÐ double bond is trans. There is an intramolecular NÐHÁ Á ÁO hydrogen bond and intermolecular OÐHÁ Á ÁO interactions, forming a three-dimensional network.
Single-crystal X-ray study T = 291 K Mean '(C±C) = 0.003 A Ê R factor = 0.043 wR factor = 0.116 Data-to-parameter ratio = 11.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.