Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

[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 | 2008 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Zhan Cai-Hong CH Zhang Shu-Guang SG Feng Yun-Long YL

Acta crystallographica. Section E, Structure reports online 20081126 Pt 12

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. ...[more]

PMID: 21581419

Similar Datasets

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.

| S-EPMC2959832 | biostudies-literature

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 π-π 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.

| S-EPMC3648285 | biostudies-literature

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)°.

| S-EPMC3415003 | biostudies-literature

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.

| S-EPMC3247491 | biostudies-literature

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.

| S-EPMC2967996 | biostudies-literature

2-(5-Amino-2H-tetra-zol-2-yl)acetic acid.

Project description:In the title mol-ecule, C(3)H(5)N(5)O(2), the tetra-zole ring and carboxyl group form a dihedral angle of 82.25 (14)°. In the crystal, adjacent mol-ecules are linked through O-H⋯N, N-H⋯O and N-H⋯N hydrogen bonds into layers parallel to the bc plane.

| S-EPMC3344469 | biostudies-literature

Hexaaqua-magnesium(II) bis-{5-[3-(1H-tetra-zol-5-yl)phen-yl]tetra-zolide} tetra-hydrate.

Project description:The asymmetric unit of the title compound, [Mg(H(2)O)(6)](C(8)H(5)N(8))(2)·4H(2)O, contains one half of the centrosymmetric dication, one anion and two water mol-ecules. The Mg(II) ion is coordinated by six water mol-ecules in a slightly distorted octa-hedral geometry. In the anion, the two five-membered heterocycles are twisted from the central benzene ring by 4.34 (11) and 3.20 (10)°. In the crystal, O-H⋯N, O-H⋯O and N-H⋯O hydrogen bonds generate a three-dimensional network.

| S-EPMC3274901 | biostudies-literature

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.

| S-EPMC2961711 | biostudies-literature

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. π-π 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.

| S-EPMC3200657 | biostudies-literature

2-{[4-(1,3-Benzothia-zol-2-yl)phen-yl](meth-yl)amino}acetic acid.

Project description:In the title compound, C(16)H(14)N(2)O(2)S, the dihedral angle between the benzothia-zole ring system and benzene ring is 3.11 (2)°. In the crystal structure, inter-molecular O-H⋯N hydrogen bonds link mol-ecules into chains along [100] and these chains are, in turn, linked into a three-dimensional network via weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2971184 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data