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A new polymorph of 5,5'-(ethane-1,2-di-yl)bis-(1H-tetra-zole).

ABSTRACT: The asymmetric unit of the title compound, C(4)H(6)N(8), contains a quarter of the mol-ecule, which possesses a crystallographically imposed centre of symmetry with all non-H atoms situated on a mirror plane. The crystal packing exhibits inter-molecular N-H⋯N hydrogen bonds and π-π stacking inter-actions between the tetra-zole rings of adjacent mol-ecules [centroid-centroid distance = 3.4402 (10) Å].

SUBMITTER: Qiao CF

PROVIDER: S-EPMC3343959 | biostudies-literature |

REPOSITORIES: biostudies-literature

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5,5'-(Butane-1,4-di-yl)bis-(1H-tetra-zole) dihydrate.

Project description:The title compound, C(6)H(10)N(8)·2H(2)O, was prepared by the reaction of hexanedinitrile and sodium azide. The di-1H-tetra-zole mol-ecule lies on a crystallographic centre of inversion and is linked to the water mol-ecules by N-H?O and O-H?N hydrogen bonds, forming a two-dimensional supra-molecular structure in the crystal.

| S-EPMC3011479 | biostudies-literature

5,5'-(p-Phenyl-ene)di-1H-tetra-zole.

Project description:Crystals of the title organic compound, C(8)H(6)N(8), were generated in situ through the [2 + 3]-cyclo-addition reaction involving the precursor 1,4-dicyano-benzene and azide in water with Zn(2+) as Lewis acid. The asymmetric unit consists of one half-mol-ecule, and a twofold axis of symmetry passes through the centre of the benzene ring. There is an inter-molecular N-H?N hydrogen bond. The mol-ecules are assembled into a three-dimensional supra-molecular framework by ?-? stacking inter-actions, with a perpendicular distance of 3.256?Å [centroid-centroid = 3.9731?(8)?Å] between two tetra-zole ring planes, and 3.382?Å between the benz-ene ring and tetra-zole ring planes [centroid-centroid = 3.5010?(9)?Å].

| S-EPMC2919293 | biostudies-literature

Tetra-ethyl 1,1'-(ethane-1,2-di-yl)bis-(2,5-dimethyl-1H-pyrrole-3,4-dicarboxyl-ate).

Project description:The asymmetric unit of the title compound, C(26)H(36)N(2)O(8), comprises two independent mol-ecules. In each mol-ecule, the two pyrrole rings are linked by a -CH(2)CH(2)- bridge, with dihedral angles between the two pyrrole rings of 14.5?(3) and 16.4?(3)° in the two mol-ecules. Each pyrrole ring carries 2- and 5-methyl substituents and eth-oxy-carbonyl groups at the 3- and 5-positions.

| S-EPMC3011439 | biostudies-literature

Diaqua-[5,5'-dicarb-oxy-2,2'-(ethane-1,2-di-yl)bis-(1H-imidazole-4-carboxyl-ato)]cobalt(II).

Project description:In the title complex, [Co(C(12)H(8)N(4)O(8))(H(2)O)(2)], the Co(II) atom is coordinated by two N and two O atoms of the tetra-dentate 5,5'-dicarb-oxy-2,2'-(ethane-1,2-di-yl)bis-(1H-imidazole-4-carboxy-l-ate) anion. The slightly distorted octa-hedral coordination environment is completed by the O atoms of two water mol-ecules in axial positions. An intra-molecular O-H?O hydrogen bond between the carb-oxy and carboxyl-ate groups stabilizes the mol-ecular configuration. Adjacent mol-ecules are linked through O-H?O and N-H?O hydrogen bonds between the carb-oxy/carboxyl-ate groups, water mol-ecules and imidazole fragments into a three-dimensional network.

| S-EPMC3120334 | biostudies-literature

(1R,2R)-1,2-Diphenyl-1,2-bis-(1H-tetra-zol-1-yl)ethane.

Project description:The title compound, C(16)H(14)N(8), is a new chiral ligand designed for applications in supra-molecular chemistry and Fe(2+) spin-crossover complexes. The crystal structure shows a herring-bone arrangement of the mol-ecules, which are mutually linked via inter-molecular C-H⋯N inter-actions mainly donated by the alkyl and tetra-zole H atoms.

| S-EPMC2970974 | biostudies-literature

5,5'-[(1,4-Phenyl-enedimethyl-ene)bis-(sulfanedi-yl)]bis-(1-methyl-1H-1,2,3,4-tetra-zole).

Project description:The title mol-ecule, C(12)H(14)N(8)S(2), has point symmetry [Formula: see text] since it is situated on a crystallographic centre of symmetry. The 1-meth-yl/5-thio groups are in an anti-periplanar conformation. The dihedral angle between the benzene and tetra-zole rings is 84.33?(2)°. In the crystal, C-H?N hydrogen bonds link mol-ecules into ladder-like chains running along the b axis. There are also C-H?? inter-actions present in the crystal structure.

| S-EPMC3247454 | biostudies-literature

5,5'-(Disulfanedi-yl)bis-(1-methyl-1H-tetra-zole).

Project description:In the title mol-ecule, C(4)H(6)N(8)S(2), two tetra-zole rings linked by a disulfide bridge form a dihedral angle of 71.32?(7)° [C-S-S-C torsion angle = -80.51?(10)°]. In the crystal, strong inter-molecular ?-? inter-actions between the tetra-zole rings [centroid-centroid distance = 3.285?(3)?Å] link pairs of mol-ecules into centrosymmetric dimers. Weak inter-molecular C-H?N hydrogen bonds further link these dimers, related by translation in the [100] direction, into columns.

| S-EPMC3213616 | biostudies-other

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.

| S-EPMC3200657 | biostudies-literature

2,2'-(Ethane-1,2-di-yl)bis-(1H-benzimidazole).

Project description:The complete mol-ecule of the title compound, C(16)H(14)N(4), is generated by crystallographic inversion symmetry. In the crystal, mol-ecules are linked by N-H?N hydrogen bonds, generating (001) sheets. Weak aromatic ?-? stacking inter-actions [centroid-centroid distances = 3.7383?(13) and 3.7935?(14)?Å] are also observed.

| S-EPMC3344460 | biostudies-other

1,2-Bis(di-2-pyridylphosphino-yl)ethane.

Project description:The crystal structure of the title compound, C(22)H(20)N(4)O(2)P(2), consists of two independent half-mol-ecules, both of which lie on crystallographic inversion centres. There are no significant differences between the two mol-ecules.

| S-EPMC2968607 | biostudies-literature

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