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N-[(Morpholin-4-yl)carbonothio-yl]-4-nitro-benzamide.

ABSTRACT: In the title compound, C(12)H(13)N(3)O(4)S, the nitro group is slightly twisted [6.58?(11)°] from the benzene ring plane. The morpholine ring adopts a chair form. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains along [110]. There are also ?-? contacts [centroid-centroid distance = 3.8301?(11)?Å] and C-H?? inter-actions to stack neighbouring benzene rings and link the chains into a three-dimensional network. C-H?O and C-H?S inter-actions are also observed.

SUBMITTER: Saeed S

PROVIDER: S-EPMC2979403 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

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N-[(Morpholin-4-yl)carbonothio-yl]-4-nitro-benzamide.

Saeed Sohail S Mehmood Rashid R Wong Wing-Tak WT Waris Ghulam G Manan Abdul A

Acta crystallographica. Section E, Structure reports online 20100522 Pt 6

In the title compound, C(12)H(13)N(3)O(4)S, the nitro group is slightly twisted [6.58 (11)°] from the benzene ring plane. The morpholine ring adopts a chair form. In the crystal, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into chains along [110]. There are also π-π contacts [centroid-centroid distance = 3.8301 (11) Å] and C-H⋯π inter-actions to stack neighbouring benzene rings and link the chains into a three-dimensional network. C-H⋯O and C-H⋯S inter-actions are also observed. ...[more]

PMID: 21579507

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