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3,5-Bis(4-hy-droxy-phen-yl)-4H-1,2,4-triazol-4-amine monohydrate.

ABSTRACT: The triazole ring in the title compound, C(14)H(12)N(4)O(2)·H(2)O, makes dihedral angles of 36.9?(1) and 37.3?(1)° with the two benzene rings. Each hy-droxy group is a hydrogen-bond donor to a two-coordinate N atom of an adjacent mol-ecule; these O-H?N hydrogen bonds generate a layer parallel to the ab plane. Adjacent layers are linked by N--H?O and O(water)-H?O hydrogen bonds into a three-dimensional network.

SUBMITTER: Silong S

PROVIDER: S-EPMC3008073 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

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3,5-Bis(4-hy-droxy-phen-yl)-4H-1,2,4-triazol-4-amine monohydrate.

Silong Sidik S Ab Rahman Mohamad Zaki MZ Hj Ahmad Mansor M Kwong Huey Chong HC Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20100828 Pt 9

The triazole ring in the title compound, C(14)H(12)N(4)O(2)·H(2)O, makes dihedral angles of 36.9 (1) and 37.3 (1)° with the two benzene rings. Each hy-droxy group is a hydrogen-bond donor to a two-coordinate N atom of an adjacent mol-ecule; these O-H⋯N hydrogen bonds generate a layer parallel to the ab plane. Adjacent layers are linked by N--H⋯O and O(water)-H⋯O hydrogen bonds into a three-dimensional network. ...[more]

PMID: 21588787

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3,5-Bis(4-meth-oxy-phen-yl)-4H-1,2,4-triazol-4-amine.

Project description:The title compound, C(16)H(16)N(4)O(2), crystallizes with two mol-ecules in the asymmetric unit, which are related by a non-crystallographic centre of inversion. The phenyl-ene rings are twisted out of the mean plane of the triazole ring by 19.3 (1) and 21.4 (1)° for one independent mol-ecule and by 16.3 (1) and 18.1 (1)° for the other mol-ecule. In the crystal, adjacent mol-ecules are linked by amine-triazole N-H⋯N hydrogen bonds, forming chains running along the a axis.

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Bis(?-3,5-dimethyl-4H-1,2,4-triazol-4-amine-?N:N)bis-[bis-(thio-cyanato-?N)zinc]-bis-(3,5-dimethyl-4H-1,2,4-triazol-4-amine-?N)bis-(thio-cyanato-?N)zinc (1/2).

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Project description:The Ag(I) atom in the title compound, [Ag(NO(3))(C(10)H(20)N(4))(2)]·C(2)H(5)OH·H(2)O, is coordinated by the N atoms of two N-heterocycles [N-Ag-N = 151.5?(1)°]; the approximately linear coordination geometry is distorted into a T-shaped geometry owing to a long Ag?O(nitrate) bond [2.717?(4)?Å]. The N atoms of the N-heterocycles that are not involved in coordination point towards the lattice water mol-ecule, which functions as a hydrogen-bond donor. The water mol-ecule itself is a hydrogen-bond acceptor towards the ethanol solvent mol-ecule. Hydrogen bonds of the type N-H?O give rise to a layer motif parallel to (001).

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Bis(?-3,5-dimethyl-1,2,4-triazol-4-amine-?N:N)bis-[dichlorido-cobalt(II)].

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A second ortho-rhom-bic polymorph of 3,5-diphenyl-4H-1,2,4-triazol-4-amine.

Project description:The present crystal structure is the second ortho-rhom-bic polymorph of the title compound, C(14)H(12)N(4). Whereas the structure in Pnma with Z' = 0.5 is already known [Ikemi et al. (2002 ▶). Heterocycl. Commun.8, 439-442], the present structure crystallizes in the space group Pbca with Z' = 1. The dihedral angle between the two phenyl rings is 23.5 (4)° and the dihedral angles between central ring and the phenyl rings are 41.0 (3) and 26.3 (5)°. In the 4-amino-1,2,4-trizole fragment, the C=N distances are 1.321 (3) and 1.315 (3) Å, which are much shorter than the C-N distances of 1.367 (3) and 1.357 (3) Å. In the crystal, adjacent mol-ecules are linked by N-H⋯N hydrogen bonds.

| S-EPMC2970008 | biostudies-literature

3,5-Bis(4-methoxy-phen-yl)-1H-1,2,4-triazole monohydrate.

Project description:In the title compound, C(16)H(15)N(3)O(2)·H(2)O, the two benzene rings and the triazole ring lie almost in the same plane, the triazole ring forming dihedral angles of 5.07?(9) and 5.80?(8)° with the benzene rings. In the crystal, there are three relatively strong inter-molecular O-H?N and N-H?O hydrogen bonds, which lead to the formation of a one-dimensional double chain running parallel to the a axis. Weak ?-? inter-actions between the benzene rings of neighboring chains with a centroid-centroid distance of 3.893?(4)?Å result in the formation of layers parallel to the ac plane.

| S-EPMC2969559 | biostudies-literature

Bis-(3,5-diamino-4H-1,2,4-triazol-1-ium) 3,4-dioxocyclo-butane-1,2-diolate.

Project description:The asymmetric unit of the title compound, 2C2H6N5(+)·C4O4(2-), contains two 3,5-diamino-4H-1,2,4-triazolium cations and one squarate dianion. The squaric acid mol-ecule donated one H atom to each of the two 3,5-diamino-1,2,4-triazole mol-ecules at their N atoms. The squaric acid dianion has four C-O bonds which are shorter than a normal single C-O bond (1.426?Å) and are slightly longer than a normal C=O bond (1.23?Å), which indicates the degree of electron delocalization in the dianion. In the crystal, the cations and dianions are linked by N-H?N and N-H?O hydrogen bonds into a three-dimensional network.

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Bis(4H-1,2,4-triazol-3-yl)disulfane.

Project description:The title compound, C(4)H(4)N(6)S(2), was synthesized by the reaction of 3-mercapto-1H-1,2,4-triazole with sodium hydrox-ide in ethanol. The mol-ecule possesses a crystallographically imposed twofold axis. Inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into chains along the c axis.

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