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5-(1H-Tetra-zol-5-yl)-1H-indole monohydrate.

Cai XW, Lu HF, Zhou Z - Acta Crystallogr Sect E Struct Rep Online (2011)

Bottom Line: The chains are further inter-connected into layers parallel to (100) via strong O-H⋯N and N-H⋯O hydrogen bonds.Furthermore, the layers are inter-connected via strong O-H⋯N hydrogen bonds.Moreover, cohesion between the layers is provided by the π-π inter-actions between the imidazole, tetra-zole and benzene rings with centroid-centroid distances of 3.766 (2), 3.832 (2) and 3.733 (2) Å.

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ABSTRACT
In the title compound, C(9)H(7)N(5)·H(2)O, the inter-planar angles between the benzene and tetra-zole rings and between the benzene and imidazole rings are 8.71 (3) and 1.32 (2)°, respectively. In the crystal, strong N-H⋯N hydrogen bonds link the organic 5-(1H-tetra-zol-5-yl)-1H-indole mol-ecules into chains extended along the b axis. The chains are further inter-connected into layers parallel to (100) via strong O-H⋯N and N-H⋯O hydrogen bonds. Furthermore, the layers are inter-connected via strong O-H⋯N hydrogen bonds. Moreover, cohesion between the layers is provided by the π-π inter-actions between the imidazole, tetra-zole and benzene rings with centroid-centroid distances of 3.766 (2), 3.832 (2) and 3.733 (2) Å.

No MeSH data available.


A view of the title molecules with the atomic numbering scheme. The displacement ellipsoids were drawn at the 30% probability level.
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Fap1: A view of the title molecules with the atomic numbering scheme. The displacement ellipsoids were drawn at the 30% probability level.


5-(1H-Tetra-zol-5-yl)-1H-indole monohydrate.

Cai XW, Lu HF, Zhou Z - Acta Crystallogr Sect E Struct Rep Online (2011)

A view of the title molecules with the atomic numbering scheme. The displacement ellipsoids were drawn at the 30% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3120397&req=5

Fap1: A view of the title molecules with the atomic numbering scheme. The displacement ellipsoids were drawn at the 30% probability level.
Bottom Line: The chains are further inter-connected into layers parallel to (100) via strong O-H⋯N and N-H⋯O hydrogen bonds.Furthermore, the layers are inter-connected via strong O-H⋯N hydrogen bonds.Moreover, cohesion between the layers is provided by the π-π inter-actions between the imidazole, tetra-zole and benzene rings with centroid-centroid distances of 3.766 (2), 3.832 (2) and 3.733 (2) Å.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title compound, C(9)H(7)N(5)·H(2)O, the inter-planar angles between the benzene and tetra-zole rings and between the benzene and imidazole rings are 8.71 (3) and 1.32 (2)°, respectively. In the crystal, strong N-H⋯N hydrogen bonds link the organic 5-(1H-tetra-zol-5-yl)-1H-indole mol-ecules into chains extended along the b axis. The chains are further inter-connected into layers parallel to (100) via strong O-H⋯N and N-H⋯O hydrogen bonds. Furthermore, the layers are inter-connected via strong O-H⋯N hydrogen bonds. Moreover, cohesion between the layers is provided by the π-π inter-actions between the imidazole, tetra-zole and benzene rings with centroid-centroid distances of 3.766 (2), 3.832 (2) and 3.733 (2) Å.

No MeSH data available.