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

ABSTRACT: 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.

SUBMITTER: Cheng L

PROVIDER: S-EPMC2967996 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

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

Cheng Lin L Zhang Ya-Wen YW Wang Jian-Quan JQ Zhang Gong G

Acta crystallographica. Section E, Structure reports online 20081210 Pt 1

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. ...[more]

PMID: 21581726

Similar Datasets

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

Project description: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 π-π stacking (centroid-centroid distance between tetra-zole and benzene rings = 3.78 Å) inter-actions link the mol-ecules into a three-dimensional network.

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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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2-(1H-Tetra-zol-1-yl)acetic acid monohydrate.

Project description:The crystal structure of the title compound, C(3)H(4)N(4)O(2)·H(2)O, exhibits O-H⋯O and O-H⋯N hydrogen bonds, which lead to the formation of a two-dimensional network parallel to the bc plane. The dihedral angle between the ring and the carboxylic acid group is 84.6 (14)°.

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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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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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[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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3-(1H-Tetra-zol-5-yl)pyridinium 3-(2H-tetra-zol-5-yl)pyridinium dinitrate.

Project description:In the title compound, C(6)H(6)N(5) (+)·NO(3) (-), there are two different isomers of the cation within the asymmetric unit. The dihedral angles between the the pyridinium and tetra-zole rings are 2.54 (15) and 13.36 (18)° in the two cations. In the crystal, the packing of ions is stabilized by N-H⋯O and N-H⋯(O,O) hydrogen bonds, forming clusters composed of four ion pairs.

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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 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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6-(1H-Tetra-zol-5-yl)-1H-indole monohydrate.

Project description:In the title compound, C(9)H(7)N(5)·H(2)O, the tetra-zole ring forms a dihedral angle of 1.82?(1)° with the mean plane of the indole fragment. In the crystal, mol-ecules are linked by inter-molecular O-H?N, N-H?O and N-H?N hydrogen bonds into a two-dimensional network parallel to (100). Addtional stabilization is provide by weak ?-? inter-actions with a centroid-centroid distance of 3.698?(2)?Å.

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2-(1H-Tetra-zol-5-yl)benzonitrile.

Project description:The title compound, C(8)H(5)N(5), was synthesized from phthalonitrile. The benzonitrile and tetra-zole rings are inclined at a dihedral angle of 37.14 (11)°. In the crystal structure, inter-molecular N-H⋯N hydrogen bonds link the tetra-zole rings of adjacent mol-ecules, forming chains along the a axis.

| S-EPMC2961120 | biostudies-literature

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