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2-Amino-7,7-di­methyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexa­hydro­quinoline-3-carbo­nitrile hemihydrate

✍ Scribed by Tu, Shujiang ;Zhang, Jinpeng ;Zhu, Xiaotong ;Xu, Jianing ;Wang, Qian

Publisher
International Union of Crystallography
Year
2005
Tongue
English
Weight
192 KB
Volume
61
Category
Article
ISSN
1600-5368

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✦ Synopsis

The asymmetric unit of (I), showing 30% probability displacement ellipsoids and the atom-numbering scheme. H atoms have been omitted.

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4-(3,4-Methyl­ene­dioxy­phenyl)-7,7-di­m
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Single-crystal X-ray study T = 296 K Mean '(C±C) = 0.002 A Ê R factor = 0.038 wR factor = 0.101 Data-to-parameter ratio = 12.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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The title compound, C 18 H 20 ClNO 2 , has been synthesized by the reaction of 4-chlorobenzaldehyde, Meldrum's acid, dimedone and CH 3 NH 3 Cl(NaOAc) in ethanol under microwave irradiation. The pyridone ring adopts a screw-boat conformation and the cyclohexenone ring an envelope conformation.

6,7-cis-7,8-trans-3,3-Di­methyl-7-(5,5-d
6,7-cis-7,8-trans-3,3-Di­methyl-7-(5,5-di­methyl-3-oxo-1-cyclo­hexenyl)-6,8-di­phenyl-1,2,3,4,5,6,7,8-octa­hydro­naphthalen-1-one
✍ Bates, Robert B. ;Bhatwadekar, S. V. ;Crane, Zackary D. ;Dicus, Christopher W. ; 📂 Article 📅 2001 🏛 International Union of Crystallography 🌐 English ⚖ 210 KB

Single-crystal X-ray study T = 170 K Mean '(C±C) = 0.004 A Ê Disorder in main residue R factor = 0.047 wR factor = 0.139 Data-to-parameter ratio = 14.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.