Ethyl 2-[3-(3,5-Dinitrobenzoyl)thioureido]benzoate

Sohail Saeed; Naghmana Rashid; Moazzam H. Bhatti; Wing Tak Wong

doi:10.1107/S1600536811012918

Ethyl 2-[3-(3,5-Dinitrobenzoyl)thioureido]benzoate

Sohail Saeed, Naghmana Rashid, Moazzam H. Bhatti, Wing Tak Wong

Research output: Journal article publication › Journal article › Academic research › peer-review

2 Citations (Scopus)

Abstract

In the title compound, C17H14N4O 7S, 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 molecules suggests the existence of π-π stacking. Intermolecular and intra-molecular N-H⋯O hydrogen bonding is present in the structure. The ethoxy 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.

Original language	English
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	67
Issue number	5
DOIs	https://doi.org/10.1107/S1600536811012918
Publication status	Published - 1 May 2011
Externally published	Yes

ASJC Scopus subject areas

Condensed Matter Physics
General Materials Science
General Chemistry

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10.1107/S1600536811012918

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title = "Ethyl 2-[3-(3,5-Dinitrobenzoyl)thioureido]benzoate",

abstract = "In the title compound, C17H14N4O 7S, the dihedral angle between the two benzene rings is 9.04 (15)°. The centroid-centroid distance of 3.9825 (19) {\AA} between nearly parallel benzene rings of adjacent molecules suggests the existence of π-π stacking. Intermolecular and intra-molecular N-H⋯O hydrogen bonding is present in the structure. The ethoxy 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.",

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T1 - Ethyl 2-[3-(3,5-Dinitrobenzoyl)thioureido]benzoate

AU - Saeed, Sohail

AU - Rashid, Naghmana

AU - Bhatti, Moazzam H.

AU - Wong, Wing Tak

PY - 2011/5/1

Y1 - 2011/5/1

N2 - In the title compound, C17H14N4O 7S, 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 molecules suggests the existence of π-π stacking. Intermolecular and intra-molecular N-H⋯O hydrogen bonding is present in the structure. The ethoxy 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.

AB - In the title compound, C17H14N4O 7S, 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 molecules suggests the existence of π-π stacking. Intermolecular and intra-molecular N-H⋯O hydrogen bonding is present in the structure. The ethoxy 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.

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DO - 10.1107/S1600536811012918

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VL - 67

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 5

ER -

Ethyl 2-[3-(3,5-Dinitrobenzoyl)thioureido]benzoate

Abstract

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