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Ethyl 2-{N-[N-(4-chloro-6-methoxy-pyrimidin-2-yl)carbamo-yl]sulfamo-yl}benzoate.

ABSTRACT: The asymmetric unit of the title compound, C(15)H(15)ClN(4)O(6)S, contains two independent mol-ecules, in which the pyrimidine and benzene rings are oriented at dihedral angles of 75.21?(3) and 86.00?(3)°. Intra-molecular N-H?N and C-H?O hydrogen bonds result in the formation of two five- and two six-membered rings. The six-membered rings have flattened-boat conformations, while the five-membered rings adopt envelope conformations. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules.

SUBMITTER: Lu C

PROVIDER: S-EPMC2961814 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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Ethyl 2-{N-[N-(4-chloro-6-methoxy-pyrimidin-2-yl)carbamo-yl]sulfamo-yl}benzoate.

Lu Chui C Li Fang-Shi FS Yu Da-Sheng DS Yao Wei W Liu Yin-Hong YH

Acta crystallographica. Section E, Structure reports online 20080613 Pt 7

The asymmetric unit of the title compound, C(15)H(15)ClN(4)O(6)S, contains two independent mol-ecules, in which the pyrimidine and benzene rings are oriented at dihedral angles of 75.21 (3) and 86.00 (3)°. Intra-molecular N-H⋯N and C-H⋯O hydrogen bonds result in the formation of two five- and two six-membered rings. The six-membered rings have flattened-boat conformations, while the five-membered rings adopt envelope conformations. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds l ...[more]

PMID: 21202882

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