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

ABSTRACT: 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.

SUBMITTER: Werner F

PROVIDER: S-EPMC2970974 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(1R,2R)-N,N'-Bis(ferrocenylmeth-yl)-1,2-diphenyl-ethane-1,2-diamine.

Project description:The title compound, [Fe(2)(C(5)H(5))(2)(C(26)H(26)N(2))], was synthesized from a chiral diamine and ferrocenecarboxaldehyde and subsequent reduction with NaBH(4). It has two chiral centers which both exhibit an R configuration. Two ferrocene groups are present in the mol-ecular structure, with their cyclo-penta-dienyl ring planes showing an almost perpen-dicular arrangement [dihedral angle 88.6?(1)°].

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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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Bis[(1-methyl-1H-tetra-zol-5-yl)sulfan-yl]ethane.

Project description:The title compound, C(6)H(10)N(8)S(2), was prepared by the nucleophilic substitution reaction of 5-mercapto-1-methyl-tetra-zole and dichloro-ethane. In the crystal, the mol-ecule possesses an approximate non-crystallographic twofold symmetry axis. The crystal packing is stabilized by weak inter-molecular C-H⋯N and π-π inter-actions [centroid-centroid distances = 3.448 (6), 3.5085 (5) and 3.4591 (2) Å]. The two five-membered rings form a dihedral angle of 1.9 (2)°.

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1,2-Bis(1H-tetra-zol-5-yl)benzene dihydrate.

Project description:The asymmetric unit of the title compound, C(8)H(6)N(8)·2H(2)O, contains one half-mol-ecule, with the benzene ring on a centre of symmetry, and two uncoordinated water mol-ecules. The benzene ring is oriented at a dihedral angle of 34.43?(12)° with respect to the tetra-zole ring. Strong O-H?N hydrogen bonds link the water mol-ecules to the N atoms of the tetra-zole ring. In the crystal structure, strong inter-molecular O-H?O and O-H?N hydrogen bonds link the mol-ecules into a network. One of the water H atoms is disordered over two positions and was refined with occupancies of 0.50.

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cis-[1,2-Bis(diphenyl-arsan-yl)ethane-?As,As']tetra-carbonyl-chromium(0).

Project description:In the title compound, [Cr(C(26)H(24)As(2))(CO)(4)], the Cr atom is octa-hedrally coordinated by four carbonyl ligands and one bidentate 1,2-bis-(diphenyl-arsan-yl)ethane ligand, which chelates in a cis manner with an As-Cr-As bite angle of 82.513?(9)°. The dihedral angles between the pairs of benzene rings attached to each As atom are 84.63?(9) and 77.15?(8)°. In the crystal, mol-ecules are linked by C-H?O inter-actions, forming infinite chains along the a axis. The crystal structure is further stabilized by C-H?? inter-actions.

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

Project description: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].

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trans-Bis[1,2-bis-(diphenyl-phosphan-yl)ethane]-chlorido(ethyn-yl)ruthenium(II).

Project description:The mol-ecular structure of the title compound, trans-[Cu(C2H)Cl(C26H24P2)2], consists of an Ru(II) cation, located on an inversion centre, in an octa-hedral environment defined by two chelating phosphines, one acetyl-ide and one chloride ligand. The -C CH and the chlorine ligands are disordered over two equivalent positions (0.5 occupancy each). The coordination geometry is distorted octa-hedral, with the -C CH fragment and the Cl ligand in trans positions. The four P atoms occupy the equatorial plane of the octa-hedron and the chloride and acetyl-ide ligands the axial positions.

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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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Monoclinic modification of 1,2-bis-(diphenyl-seleno-phosphino-yl)ethane.

Project description:The complete mol-ecule of the title compound, C(26)H(24)P(2)Se(2), is generated by crystallographic 2-fold symmetry, with the rotation axis bisecting the central C-C bond. The dihedral angle between the terminal aromatic rings is 74.1?(1)°.

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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.

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