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

ABSTRACT: 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.

SUBMITTER: Zhan CH

PROVIDER: S-EPMC2959972 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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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2-({1-[2-(Methyl-sulfan-yl)phen-yl]-1H-tetra-zol-5-yl}sulfan-yl)acetic acid.

Project description:In the title compound, C10H10N4O2S2, the tetra-zole and benzene rings are almost normal to one another, with a dihedral angle between their planes of 84.33?(9)°. In the crystal, mol-ecules are linked via pairs of bifurcated O-H?(N,N) hydrogen bonds, forming inversion dimers with graph-set motif R 4 (4)(12). The dimers are linked by significant ?-? inter-actions involving inversion-related tetra-zole rings and inversion-related benzene rings, with centroid-centroid distances of 3.7376?(14) and 3.8444?(15)?Å, respectively.

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Aqua-chlorido{1-[1-(4-hydroxy-phen-yl)-1H-tetra-zol-5-ylsulfan-yl]acetato}(methanol)(1,10-phenanthroline)manganese(II).

Project description:The title complex, [Mn(C(9)H(7)N(4)O(3)S)Cl(C(12)H(8)N(2))(CH(4)O)(H(2)O)], contains an Mn(II) ion six-coordinated by one O atom from the 2-[1-(4-hydroxy-phen-yl)-1H-tetra-zol-5-ylsulfan-yl]-acetate ligand, two N atoms from a chelating 1,10-phenanthroline ligand, one O atom from a methanol mol-ecule, one Cl atom and one water mol-ecule in a distorted octa-hedral coordination geometry. The existence of O-H?Cl, O-H?N and O-H?O hydrogen bonds further produces a two-dimensional structure.

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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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4-[4-(1H-Tetra-zol-5-yl)phen-oxy]benzaldehyde.

Project description:The asymmetric unit of the title compound, C(14)H(10)N(4)O(2), contains two independent mol-ecules with similar structures. In one mol-ecule, the tetra-zole ring is oriented at dihedral angles of 17.71?(16) and 57.13?(17)°, respectively, to the central benzene ring and the terminal benzene ring; in the other mol-ecule, the corresponding dihedral angles are 16.46?(18) and 75.87?(18)°. Inter-molecular N-H?N hydrogen bonds and weak C-H?O and C-H?N hydrogen bonds occur in the crystal structure.

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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 ?-? 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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Ethane-1,2-diaminium bis-{5-[4-(1H-tetra-zol-5-yl)phen-yl]tetra-zolide} dihydrate.

Project description:In the two anions of the title salt, C(2)H(10)N(2) (2+)·2C(8)H(5)N(8) (-)·2H(2)O, the central aromatic rings make dihedral angles of 13.53?(6) and 6.53?(7)° with the deprotonated tetra-zole rings, and 11.39?(6) and 10.41?(9)° with the other tetra-zole groups. In the crystal, the cations, anions and water mol-ecules are linked by an extensive O-H?N, N-H?O and N-H?N hydrogen-bond network into two-dimensional wave-like duplex sheets extending parallel to the bc plane. ?-? stacking inter-actions between benzene rings [inter-centroid distances are 3.8482?(4) and 3.9621?(5)?Å] and between tetra-zole rings [inter-centroid distances are 3.4350?(4) and 3.7169?(4)?Å] further consolidate the crystal structure.

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2-(Phenyl-carbonothio-ylsulfan-yl)acetic acid.

Project description:The title compound, C(9)H(8)O(2)S(2), can be used as a chain transfer agent and may be used to control the behavior of polymerization reactions. O-H?O hydrogen bonds of moderate character link the mol-ecules into dimers. In the crystal, the dimers are linked into sheets by C-H?O inter-actions, forming R(4) (2)(12) and R(2) (2)(8) edge-fused rings running parallel to [101]. There are no inter-molecular inter-actions involving the S atoms.

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2-(Pyrimidin-2-ylsulfan-yl)acetic acid.

Project description:The mol-ecule of the title compound, C(6)H(6)N(2)O(2)S, lies on a crystallographic mirror plane with the methyl-ene H atoms related by mirror symmetry. In the crystal packing, mol-ecules are linked into layers by inter-molecular O-H?N and C-H?O hydrogen bonds.

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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)°].

| S-EPMC3008032 | biostudies-literature

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