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4-(1H-Tetra-zol-5-yl)benzoic acid monohydrate.

ABSTRACT: The asymmetric unit of the title compound, C(8)H(6)N(4)O(2)·H(2)O, consists of one 4-(1H-tetra-zol-5-yl)benzoic acid mol-ecule and one water mol-ecule. Hydrogen-bonding and ?-? stacking (centroid-centroid distance between tetra-zole and benzene rings = 3.78?Å) inter-actions link the mol-ecules into a three-dimensional network.

SUBMITTER: Li GQ

PROVIDER: S-EPMC2961711 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

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3-(1H-Tetra-zol-5-yl)benzoic acid.

Project description:The title compound, C(8)H(6)N(4)O(2), is a difunctional compound with a carboxyl-ate and a tetra-zole residue. In the crystal structure, mol-ecules are linked into two-dimensional sheets by inter-molecular N-H⋯O and O-H⋯N hydrogen bonds.

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

Project description: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 ?-? 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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3-Phenyl-2-(1H-tetra-zol-1-yl)propanoic acid monohydrate.

Project description:In the title compound, C(10)H(10)N(4)O(2)·H(2)O, the dihedral angle between the tetra-zole and benzene rings is 63.24 (11)°. The crystal structure is stabilized by intra-molecular O-H⋯N and O-H⋯O hydrogen bonds.

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4-{5-[(2-Bromo-benz-yl)sulfan-yl]-1H-tetra-zol-1-yl}benzoic acid.

Project description:In the title compound, C15H11BrN4O2S, the tetra-zole ring makes dihedral angles of 45.97 (10) and 75.41 (1)°, respectively, with the benzoyl and bromo-benzene rings while the dihedral angle between the benzene rings is 73.77 (1)°. In the crystal, mol-ecules are linked through O-H⋯ N and C-H⋯ O hydrogen bonds, giving infinite chains in both the [110] and [1-10] directions. These chains are further connected by C-Br⋯π and C-O⋯π inter-actions and also by π-π stacking between tetra-zole rings [centroid-centroid distance = 3.312 (1) Å], generating a three-dimensional network.

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4,5-Bis(1H-tetra-zol-5-yl)-1H-imidazole monohydrate.

Project description:The title compound, C(5)H(4)N(10)·H(2)O, is composed of three five-membered rings that are essentially coplanar, the dihedral angles between the imidazole ring and the tetra-zole rings being 3.5?(2) and 3.0?(2)°. In the crystal, inter-molecular O-H?N, N-H?O and N-H?N hydrogen bonds lead to the formation of a three-dimensional network. An intra-molecular N-H?N hydrogen bond is also present.

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

Project description: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.

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4-(1H-Tetra-zol-5-yl)-1H-indole.

Project description:There are two mol-ecules with similar configurations in the asymmetric unit of the title compound, C(9)H(7)N(5), which are linked by inter-molecular N-H?N hydrogen bonds into chains with graph-set motif C(2) (2)(8) along the b axis. The indole core has the expected planar geometry in the two mol-ecules, with a maximum deviation of 0.008?(8)?Å from the least-squares plane defined by the nine constituent atoms, and the dihedral angles between the indole and tetra-zole rings are similar [42.4?(2) and 42.7?(2)°].

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[1-(4-Hydroxy-phen-yl)-1H-tetra-zol-5-ylsulfan-yl]acetic acid.

Project description:The title compound, C(9)H(8)N(4)O(3)S, shows a layer structure constructed from inter-molecular O-H⋯O and O-H⋯N hydrogen bonds. Inter-atomic distances suggest that extensive, but not uniform, π-electron delocalization is present in the tetra-zole rings and extends over the exocyclic C-S bond.

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