The title compound, C 18 H 18 N 4 , lies on an inversion center. The benzimidazolyl moiety is essentially planar. Intermolecular NÐHÁ Á ÁN hydrogen bonds give rise to an in®nite helical chain structure, with the chains stacked by CÐHÁ Á Á% and %Á Á Á% interactions.
1,4-Bis[1-(pyridin-4-ylmethyl)-1H-benzimidazol-2-yl]butane dihydrate
✍ Scribed by Li, Shun-Li ;Liu, Jie ;Ma, Jian-Fang
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 905 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, C 30 H 28 N 6 Á2H 2 O, is an example of a new N-donor neutral organic ligand. The asymmetric unit consists of two half-molecules (organic) and two water molecules; each independent organic molecule is centrosymmetric. The water molecules are linked by O-HÁ Á ÁO hydrogen bonds, forming infinite chains stretching parallel to the a axis. These water chains also link the molecules of the title compound via C-HÁ Á ÁO and O-HÁ Á ÁN hydrogen bonds, generating a twodimensional supramolecular layer-like structure.
📜 SIMILAR VOLUMES
The molecule of the title compound, C 30 H 26 N 4 , is non-planar. The dihedral angles between the two benzene rings of the benzyl groups, and between the benzimidazole and 4-(methyl)benzonitrile ring systems, are 117.9 (2) and 70.3 (3) , respectively. The bond distances and angles are all in normal
Single-crystal X-ray study T = 296 K Mean '(C±C) = 0.002 A Ê R factor = 0.032 wR factor = 0.085 Data-to-parameter ratio = 15.1 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C~13~H~17~N~3~OS, the morpholine ring has a chair conformation. The crystal structure exhibits intermolecular C—H...O and C—H...N interactions to form a consolidated array.