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3-[(2-Chloro-1,3-thia-zol-5-yl)meth-yl]-5-methyl-1,3,5-oxadiazinan-4-one.

ABSTRACT: In the title compound, C(8)H(10)ClN(3)O(2)S, the oxadiazinane ring is in a sofa conformation with the ring O atom deviating from the best plane of the remaining five atoms by 0.636?(2)?Å. A short intra-molecular C-S?O=C contact [S?O 3.122?(2)?Å, C-S?O 80.0?(2)°] is observed between the two mol-ecular fragments bridged by the methyl-ene group. In the crystal, C-H?O hydrogen bonds link mol-ecules, forming chains along the b axis.

SUBMITTER: Kant R

PROVIDER: S-EPMC3515215 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

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3-[(2-Chloro-1,3-thia-zol-5-yl)meth-yl]-5-methyl-1,3,5-oxadiazinan-4-one.

Kant Rajni R Gupta Vivek K VK Kapoor Kamini K Shripanavar Chetan S CS Banerjee Kaushik K

Acta crystallographica. Section E, Structure reports online 20121013 Pt 11

In the title compound, C(8)H(10)ClN(3)O(2)S, the oxadiazinane ring is in a sofa conformation with the ring O atom deviating from the best plane of the remaining five atoms by 0.636 (2) Å. A short intra-molecular C-S⋯O=C contact [S⋯O 3.122 (2) Å, C-S⋯O 80.0 (2)°] is observed between the two mol-ecular fragments bridged by the methyl-ene group. In the crystal, C-H⋯O hydrogen bonds link mol-ecules, forming chains along the b axis. ...[more]

PMID: 23284435

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