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Ethyl 4-[3-(1H-imidazol-1-yl)propyl-amino]-3-nitro-benzoate.

ABSTRACT: In the title compound, C(15)H(18)N(4)O(4), the 1H-imidazole ring forms a dihedral angle of 67.12?(8)° with the benzene ring. An S(6) ring motif is formed via an intra-molecular N-H?O hydrogen bond. In the crystal, neighbouring mol-ecules are linked by a pair of inter-molecular N-H?N hydrogen bonds, forming an inversion dimer. The dimers are further linked by a pair of C-H?O hydrogen bonds, leading to the formation of chain along [021]. A C-H?? inter-action involving the centroid of the benzene ring is also observed between the chains.

SUBMITTER: Yoon YK 

PROVIDER: S-EPMC3201243 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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Ethyl 4-[3-(1H-imidazol-1-yl)propyl-amino]-3-nitro-benzoate.

Yoon Yeong Keng YK   Ali Mohamed Ashraf MA   Choon Tan Soo TS   Loh Wan-Sin WS   Fun Hoong-Kun HK  

Acta crystallographica. Section E, Structure reports online 20110914 Pt 10

In the title compound, C(15)H(18)N(4)O(4), the 1H-imidazole ring forms a dihedral angle of 67.12 (8)° with the benzene ring. An S(6) ring motif is formed via an intra-molecular N-H⋯O hydrogen bond. In the crystal, neighbouring mol-ecules are linked by a pair of inter-molecular N-H⋯N hydrogen bonds, forming an inversion dimer. The dimers are further linked by a pair of C-H⋯O hydrogen bonds, leading to the formation of chain along [021]. A C-H⋯π inter-action involving the centroid of the benzene r  ...[more]

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