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6-Bromo-3-(2-methyl­propen­yl)imidazo[1,2-a]pyridine

✍ Scribed by Zhang, Rui ;Hu, Yongzhou


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

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1-(6-Bromo­pyridin-2-yl)-3-methyl-3H-imi
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ÁBr À ÁH 2 O, was determined at 150 K. It is a supramolecular adduct of imidazolium bromide and water molecules. Helical chains of (H 2 OÁBr À ) exist in the structure along the [001] direction. Each chain forms extensive hydrogen bonds with the imidazolium cations.

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The title novel oxazole derivative, C 8 H 9 N 2 O 3 Br, is formed by displacement of one of the Br atoms in 5,6-dibromo-2,3dihydro-2-methylimidazo[2,1-b]oxazole using metalation followed by reaction with methylcyanoformate. The cyclic moiety in the molecule is slightly bent from a planar con®guratio

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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.066 wR factor = 0.153 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 24 H 36 , crystallizes with two independent but very similar molecules in the asymmetric unit. The ring torsion angles about the double bonds are ca 13 ; the ring sp 2 bond angles at the three radialene-type junctions are ca 110 .