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5-{4'-[(5-Benzyl-2H-tetra-zol-2-yl)meth-yl]biphenyl-2-yl}-1H-tetra-zole monohydrate.

ABSTRACT: In the title compound, C22H18N8·H2O, the dihedral angle between the tetra-zole rings is 69.58?(1)° while the terminal phenyl ring makes dihedral angles of 26.98?(8) and 39.75?(8)° with the other benzene rings. The rings of the biphenyl unit subtend a dihedral angle of 55.23?(8)°. In the crystal, the solvent water mol-ecule is linked to the main mol-ecule via an N-H?O hydrogen bond. In addition, C-H?N and O-H?N hydrogen bonds link the components into chains along [010]. The crystal structure also features C-H?? and ?-? inter-actions, with centroid-centroid distances of 3.6556?(9) and 3.826?(1)?Å.

SUBMITTER: Meti GY 

PROVIDER: S-EPMC3648274 | biostudies-literature | 2013 May

REPOSITORIES: biostudies-literature

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5-{4'-[(5-Benzyl-2H-tetra-zol-2-yl)meth-yl]biphenyl-2-yl}-1H-tetra-zole monohydrate.

Meti Gangadhar Y GY   Jeyaseelan S S   Kamble R R RR   Dorababu Atakuri A   Devarajegowda H C HC  

Acta crystallographica. Section E, Structure reports online 20130417 Pt 5

In the title compound, C22H18N8·H2O, the dihedral angle between the tetra-zole rings is 69.58 (1)° while the terminal phenyl ring makes dihedral angles of 26.98 (8) and 39.75 (8)° with the other benzene rings. The rings of the biphenyl unit subtend a dihedral angle of 55.23 (8)°. In the crystal, the solvent water mol-ecule is linked to the main mol-ecule via an N-H⋯O hydrogen bond. In addition, C-H⋯N and O-H⋯N hydrogen bonds link the components into chains along [010]. The crystal structure also  ...[more]

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