1-(1H-Benzimidazol-1-ylmethyl)-3-[2-(diisopropylamino)ethyl]-1H-benzimidazolium bromide 0.25-hydrate
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, cilt.65, 2009 (SCI-Expanded)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 65
- Basım Tarihi: 2009
- Doi Numarası: 10.1107/s160053680900765x
- Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED)
- İnönü Üniversitesi Adresli: Evet
Özet
The title N-heterocyclic carbene derivative, C23H30N5+center dot Br-center dot 0.25H(2)O, was synthesized using microwave heating and was characterized by H-1 and C-13 NMR spectroscopy and a single-crystal X-ray diffraction study. The structure of the title compound are stabilized by a network of intra-and intermolecular C-H center dot center dot center dot Br hydrogen-bonding interactions. The crystal structure is further stabilized by pi-pi stacking interactions between benzene and imidazole fragment rings of parallel benzo[d] imidazole rings, with a separation of 3.486 (3) angstrom between the centroids of the benzene and imidazole rings. There is also an intermolecular C-H center dot center dot center dot pi interaction in the crystal structure. The C-N bond lengths for the central benzimidazole ring are shorter than the average single C-N bond, thus showing varying degrees of double-bond character and indicating partial electron delocalization within the C-N-C-N-C fragment. The isopropyl group is disordered over two sites with occupancies of 0.792 (10) and 0.208 (10).