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Ethyl 2-[3-(3,5-Dinitrobenzo-yl)thio-ureido]benzoate.

ABSTRACT: In the title compound, C(17)H(14)N(4)O(7)S, the dihedral angle between the two benzene rings is 9.04?(15)°. The centroid-centroid distance of 3.9825?(19)?Å between nearly parallel benzene rings of adjacent mol-ecules suggests the existence of ?-? stacking. Inter-molecular and intra-mol-ecular N-H?O hydrogen bonding is present in the structure. The eth-oxy group is disordered over two sets of sites with an occupancy ratio of 0.580?(15):0.420?(15). The crystal studied was an inversion twin.

SUBMITTER: Saeed S

PROVIDER: S-EPMC3089348 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

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Ethyl 2-[3-(3,5-Dinitrobenzo-yl)thio-ureido]benzoate.

Saeed Sohail S Rashid Naghmana N Bhatti Moazzam H MH Wong Wing-Tak WT

Acta crystallographica. Section E, Structure reports online 20110413 Pt 5

In the title compound, C(17)H(14)N(4)O(7)S, the dihedral angle between the two benzene rings is 9.04 (15)°. The centroid-centroid distance of 3.9825 (19) Å between nearly parallel benzene rings of adjacent mol-ecules suggests the existence of π-π stacking. Inter-molecular and intra-mol-ecular N-H⋯O hydrogen bonding is present in the structure. The eth-oxy group is disordered over two sets of sites with an occupancy ratio of 0.580 (15):0.420 (15). The crystal studied was an inversion twin. ...[more]

PMID: 21754430

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