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3-(Amino­methyl­ene)pentane-2,4-dione

✍ Scribed by Gróf, Martin, ;Milata, Viktor ;Kožíšek, Jozef

Publisher
International Union of Crystallography
Year
2006
Tongue
English
Weight
161 KB
Volume
62
Category
Article
ISSN
1600-5368

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✦ Synopsis

The orientations of NH 2 and CH 3 of the title compound, C 6 H 9 NO 2 , are mainly stabilized by N-HÁ Á ÁO and C-HÁ Á ÁO intramolecular hydrogen bonds, as well as intermolecular N-HÁ Á ÁO and C-HÁ Á ÁO hydrogen bonds.

📜 SIMILAR VOLUMES

3-(Methyl­amino­methyl­ene)pentane-2,4-d
3-(Methyl­amino­methyl­ene)pentane-2,4-dione
✍ Gróf, Martin, ;Milata, Viktor ;Kožíšek, Jozef ;Tokarčík, Miroslav 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 121 KB

Single-crystal X-ray study T = 100 K Mean (C-C) = 0.002 A R factor = 0.061 wR factor = 0.165 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.

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In the title compound C 7 H 9 NO 4 , the 1,3-dioxane-4,6-dione ring exhibits an envelope conformation. Intermolecular hydrogen bonds connect the molecules into chains. One intramolecular N-HÁ Á ÁO hydrogen bond to a carbonyl O atom is also observed, forming a six-membered ring.

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✍ Blake, Alexander J. ;McNab, Hamish ;Withell, Kirsti 📂 Article 📅 2003 🏛 International Union of Crystallography 🌐 English ⚖ 153 KB

Single-crystal X-ray study T = 150 K Mean '(C±C) = 0.004 A Ê R factor = 0.043 wR factor = 0.119 Data-to-parameter ratio = 11.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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✍ Silva, Luiz Everson da ;Joussef, Antonio Carlos ;Nunes, Ricardo José ;Andrighett 📂 Article 📅 2005 🏛 International Union of Crystallography 🌐 English ⚖ 222 KB

In the title compound, C 14 H 15 NO 5 , the 1,3-dioxane-4,6-dione ring exhibits a half-chair conformation. The amino H atom has one intra-and one intermolecular contact to carbonyl O atoms, with OÁ Á ÁH distances of 2.11 (2) and 2.31 (2) A ˚.