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Ethyl 4-(tert-butyl-amino)-3-nitro-benzoate.

ABSTRACT: In the title compound, C(13)H(18)N(2)O(4), intra-molecular N-H?O, N-H?N and C-H?O (× 3) hydrogen bonds generate S(6) and S(5) ring motifs. There are two crystallographically independent mol-ecules (A and B) in the asymmetric unit. The nitro group is coplanar with the benzene ring, with O-N-C-C torsion angles of -0.33?(13) and 0.93?(14)° in mol-ecules A and B, respectively. In the crystal structure, neighbouring mol-ecules are linked together by inter-molecular C-H?O hydrogen bonds. In addition, the crystal structure is stabilized by ?-? inter-actions with centroid-centroid distances ranging from 3.7853?(6) to 3.8625?(6)?Å.

SUBMITTER: Mohd Maidin SM 

PROVIDER: S-EPMC2962174 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

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Ethyl 4-(tert-butyl-amino)-3-nitro-benzoate.

Mohd Maidin Siti Marina SM   Abdul Rahim Aisyah Saad AS   Osman Hasnah H   Kia Reza R   Fun Hoong-Kun HK  

Acta crystallographica. Section E, Structure reports online 20080719 Pt 8

In the title compound, C(13)H(18)N(2)O(4), intra-molecular N-H⋯O, N-H⋯N and C-H⋯O (× 3) hydrogen bonds generate S(6) and S(5) ring motifs. There are two crystallographically independent mol-ecules (A and B) in the asymmetric unit. The nitro group is coplanar with the benzene ring, with O-N-C-C torsion angles of -0.33 (13) and 0.93 (14)° in mol-ecules A and B, respectively. In the crystal structure, neighbouring mol-ecules are linked together by inter-molecular C-H⋯O hydrogen bonds. In addition,  ...[more]

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