Single-crystal X-ray study T = 100 K Mean '(C±C) = 0.001 A Ê R factor = 0.027 wR factor = 0.069 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.
1-Methoxyethyl-5-nitrobenzimidazole
✍ Scribed by Akkurt, Mehmet ;Yıldırım, Sema Öztürk ;Orhan, Ersin ;Küçükbay, Hasan ;Büyükgüngör, Orhan
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 180 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, C 10 H 11 N 3 O 3 , was synthesized by the reaction of 5-nitrobenzimidazole, 2-chloroethyl methyl ether and KOH in ethanol. The bond lengths and angles are unexceptional.
📜 SIMILAR VOLUMES
In the paper by Akkurt, Türktekin, Küçükbay, Yılmaz & Büyükgüngör [__Acta Cryst.__ (2005), E**61**, o166–o168], the experimental section is incorrect. The correct experimental section is given below.
Methyl 4-nitrophenyl ketone was brominated by copper(II) bromide in methanol; the ketone reacts with the solvent in situ to yield the title compound, C 10 H 12 BrNO 4 , which exists as a monomeric molecule.
In the title compound, C~14~H~13~N~5~O~3~, the dihedral angle formed between the five-membered pyrazole and the benzimidazole ring system is 68.2 (2)°.
Single-crystal X-ray study T = 273 K Mean (C-C) = 0.005 A R factor = 0.072 wR factor = 0.219 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.
In the molecule of the title compound, [Cu(C 4 H 4 O 5 )-(C 7 H 5 N 3 O 2 )(H 2 O)], the Cu II atom is coordinated by one tridentate oxydiacetate (ODA) dianion, one monodentate nitrobenzimidazole (NBZIM) molecule and one H 2 O molecule, in a distorted square-based pyramidal geometry. In the crystal