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6-Nitro-1,3-benzothia-zole-2(3H)-thione.

Qiu QM, Cui YZ, Zhao YH, Jin QH, Zhang CL - Acta Crystallogr Sect E Struct Rep Online (2013)

Bottom Line: In the title mol-ecule, C(7)H(4)N(2)O(2)S(2), the nitro group is twisted by 5.5 (1)° from the plane of the attached benzene ring.In the crystal, N-H⋯S hydrogen bonds link pairs of mol-ecules into inversion dimers, which are linked by weak C-H⋯O inter-actions into sheets parallel to (101).The crystal packing exhibits short inter-molecular S⋯O contacts of 3.054 (4) Å and π-π inter-actions of 3.588 (5) Å between the centroids of the five- and six-membered rings of neighbouring mol-ecules.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Capital Normal University, Beijing 100048, People's Republic of China.

ABSTRACT
In the title mol-ecule, C(7)H(4)N(2)O(2)S(2), the nitro group is twisted by 5.5 (1)° from the plane of the attached benzene ring. In the crystal, N-H⋯S hydrogen bonds link pairs of mol-ecules into inversion dimers, which are linked by weak C-H⋯O inter-actions into sheets parallel to (101). The crystal packing exhibits short inter-molecular S⋯O contacts of 3.054 (4) Å and π-π inter-actions of 3.588 (5) Å between the centroids of the five- and six-membered rings of neighbouring mol-ecules.

No MeSH data available.


The molecular structure of (I) showing the atomic numbering scheme and displacement ellipsoids drawn at the 50% probability level.
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Fap1: The molecular structure of (I) showing the atomic numbering scheme and displacement ellipsoids drawn at the 50% probability level.


6-Nitro-1,3-benzothia-zole-2(3H)-thione.

Qiu QM, Cui YZ, Zhao YH, Jin QH, Zhang CL - Acta Crystallogr Sect E Struct Rep Online (2013)

The molecular structure of (I) showing the atomic numbering scheme and displacement ellipsoids drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3569234&req=5

Fap1: The molecular structure of (I) showing the atomic numbering scheme and displacement ellipsoids drawn at the 50% probability level.
Bottom Line: In the title mol-ecule, C(7)H(4)N(2)O(2)S(2), the nitro group is twisted by 5.5 (1)° from the plane of the attached benzene ring.In the crystal, N-H⋯S hydrogen bonds link pairs of mol-ecules into inversion dimers, which are linked by weak C-H⋯O inter-actions into sheets parallel to (101).The crystal packing exhibits short inter-molecular S⋯O contacts of 3.054 (4) Å and π-π inter-actions of 3.588 (5) Å between the centroids of the five- and six-membered rings of neighbouring mol-ecules.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Capital Normal University, Beijing 100048, People's Republic of China.

ABSTRACT
In the title mol-ecule, C(7)H(4)N(2)O(2)S(2), the nitro group is twisted by 5.5 (1)° from the plane of the attached benzene ring. In the crystal, N-H⋯S hydrogen bonds link pairs of mol-ecules into inversion dimers, which are linked by weak C-H⋯O inter-actions into sheets parallel to (101). The crystal packing exhibits short inter-molecular S⋯O contacts of 3.054 (4) Å and π-π inter-actions of 3.588 (5) Å between the centroids of the five- and six-membered rings of neighbouring mol-ecules.

No MeSH data available.