Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2010 Mar 13;66(Pt 4):o796-7.
doi: 10.1107/S160053681000872X.

Ethyl 1-sec-butyl-2-phenyl-1H-benzimidazole-5-carboxyl-ate

Ethyl 1-sec-butyl-2-phenyl-1H-benzimidazole-5-carboxyl-ate

Natarajan Arumugam et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title mol-ecule, C(20)H(22)N(2)O(2), the benzimidazole ring system is essentially planar, with a maximum deviation of 0.024 (1) Å. The dihedral angle between the phenyl and benzimidazole ring system is 43.71 (5)°. The atoms of the butyl group are disordered over two sets of sites with occupancies of 0.900 (4) and 0.100 (4). In the crystal structure, mol-ecules are connected by weak inter-molecular C-H⋯O hydrogen bonds, forming chains along the b axis. The crystal structure is further stabilized by C-H⋯π inter-actions.

PubMed Disclaimer

Figures

Fig. 1.
Fig. 1.
The asymmetric unit of the title compound, showing 50% probability displacement ellipsoids and the atom-numbering scheme. The minor disorder component is shown with open bonds.
Fig. 2.
Fig. 2.
The crystal packing of the title compound, showing hydrogen bonds as dashed lines. H atoms are not involved in the hydrogen bond interactions are omitted for clarity.

References

    1. Bruker (2009). APEX2, SAINT and SADABS Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Cosier, J. & Glazer, A. M. (1986). J. Appl. Cryst.19, 105–107.
    1. Demirayak, S., Abu Mohsen, U. & Caqri Karaburun, A. (2002). Eur. J. Med. Chem.37, 255–260. - PubMed
    1. Evans, T. M., Gardiner, J. M., Mahmood, N. & Smis, M. (1997). Bioorg. Med. Chem. Lett.7, 409–412.
    1. Grassmann, S., Sadek, B., Ligneau, X., Elz, S., Ganellin, C. R., Arrang, J. M., Schwartz, J. C., Stark, H. & Schunack, W. (2002). Eur. J. Pharm. Sci.15, 367–378. - PubMed

LinkOut - more resources