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trans-1,2-Bis(1-methyl­benzimidazol-2-yl)cyclo­hexane monohydrate

✍ Scribed by Stibrany, Robert T. ;Schugar, Harvey J. ;Potenza, Joseph A.


Publisher
International Union of Crystallography
Year
2005
Tongue
English
Weight
287 KB
Volume
62
Category
Article
ISSN
1600-5368

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✦ Synopsis


ÁH 2 O, have approximate twofold symmetry, essentially planar benzimidazole fragments, and a ladder-like appearance in profile, with the benzimidazole planes exhibiting a dihedral angle of 68.75 (4) . Geometric parameters are consistent with those of comparable species containing benzimidazole or cyclohexyl fragments. Adventitious water molecules of solvation form strong O-HÁ Á ÁN(imine) hydrogen bonds to yield infinite 2 1 columns along the c-axis direction. The columns are related by glide-plane symmetry operations and are linked by C-HÁ Á Á interactions to yield racemic crystals.


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trans-Bis(1H-benzimidazol-2-yl­methyl-κN
✍ Chęcińska, Lilianna ;Małecka, Magdalena ;Ochocki, Justyn ;Kalinowska, Urszula 📂 Article 📅 2004 🏛 International Union of Crystallography 🌐 English ⚖ 368 KB

Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.009 A Ê Some non-H atoms missing Disorder in main residue R factor = 0.046 wR factor = 0.120 Data-to-parameter ratio = 17.5 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.