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5-Amino-3-carb-oxy-1H-1,2,4-triazol-4-ium nitrate monohydrate.

ABSTRACT: The two-dimensional crystal packing of the title compound, C(3)H(5)N(4)O(2) (+)·NO(2) (-)·H(2)O, results from the stacking of well separated layers (i.e. with nothing between the layers) parallel to the (-113) plane in which adjacent cations adopt a head-to-head arrangement such that two -COOH groups are linked via two water mol-ecules (the water O atom behaves simultaneously as donor and acceptor of hydrogen bonds) and two -NH(2) groups are linked through two nitrate anions. This arrangement leads to alternating hydro-philic and hydro-phobic zones in which O-H?O and N-H?O hydrogen bonds, respectively, are observed.

SUBMITTER: Berrah F

PROVIDER: S-EPMC3344063 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

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5-Amino-3-carb-oxy-1H-1,2,4-triazol-4-ium nitrate monohydrate.

Berrah Fadila F Bouchene Rafika R Bouacida Sofiane S Roisnel Thierry T

Acta crystallographica. Section E, Structure reports online 20120321 Pt 4

The two-dimensional crystal packing of the title compound, C(3)H(5)N(4)O(2) (+)·NO(2) (-)·H(2)O, results from the stacking of well separated layers (i.e. with nothing between the layers) parallel to the (-113) plane in which adjacent cations adopt a head-to-head arrangement such that two -COOH groups are linked via two water mol-ecules (the water O atom behaves simultaneously as donor and acceptor of hydrogen bonds) and two -NH(2) groups are linked through two nitrate anions. This arrangement le ...[more]

PMID: 22589972

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Bis(5-amino-3-carb-oxy-1H-1,2,4-triazol-4-ium) dihydrogenphosphate nitrate 5-amino-1H-1,2,4-triazol-4-ium-3-carboxyl-ate.

Project description:In the title compound, 2C(3)H(5)N(4)O(2) (+)·H(2)PO(4) (-)·NO(3) (-)·C(3)H(4)N(4)O(2), three independent 5-amino-1H-1,2,4-triazol-3-carb-oxy-lic acid moieties are observed. Two are in the form of cations, while the third is in the zwitterionic form. The triazole rings in the two cations are almost coplanar, making an angle of 4.11 (7)°. Layers parallel to the (20-1) plane, resulting from hydrogen bonding of the organic mol-ecules and the nitrate anions, are linked via H(2)PO(4) (-) infinite zigzag chains running parallel to the c axis. The crystal studied was an inversion twin, with refined components of 0.33 (7) and 0.67 (7).

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Bis(5-amino-3-carb-oxy-1H-1,2,4-triazol-4-ium) sulfate dihydrate.

Project description:The crystal structure of the title compound, 2C(3)H(5)N(4)O(2) (+)·SO(4) (2-)·2H(2)O, displays a three-dimensional framework in which mixed infinite chains [oriented parallel to (510) and ([Formula: see text]10)] inter-fere, forming tunnels extending parallel to the c axis. Inter-molecular O-H⋯O, N-H⋯O and O-H⋯N hydrogen bonds ensure the unity of the structure and generate centrosymmetric R(4) (4)(14) and R(4) (2)(8) rings. The S atom lies on a twofold axis.

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4-Amino-1H-1,2,4-triazol-1-ium nitrate.

Project description:The non-centrosymmetric crystal structure of the novel semi-organic title compound, C(2)H(5)N(4) (+)·NO(3) (-), is based on alternating layers of 4-amino-1H-1,2,4-triazolinium cations (formed by parallel chains of cations mediated by weak C-H?N hydrogen bonds) and nitrate anions inter-connected via linear and bifurcated N-H?O hydrogen bonds and weak C-H?O hydrogen bonds. N-H?N hydrogen bonds link the anions and cations.

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Project description:In crystal structure of the title compound, C(5)H(6)N(3)O(2) (+)·NO(3) (-)·H(2)O, inter-molecular N-H?O, O-H?N and O-H?O hydrogen bonds link the cations, anions and water mol-ecules into ribbons extending in [10]. Weak inter-molecular C-H?O hydrogen bonds further link these ribbons into sheets parallel to (3).

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1H-1,2,4-Triazol-4-ium 4-nitro-benzene-sulfonate monohydrate.

Project description:In the 4-nitro-benzene sulfonate anion of the title compound, C(2)H(4)N(3) (+)·C(6)H(4)NO(5)S(-)·H(2)O, the nitro group is slightly twisted from the plane of the benzene ring [dihedral angle = 2.8?(3)°]. In the crystal, the three components are linked via N-H?O, O-H?N, O-H?O and C-H?O hydrogen bonds, forming a two-dimensional network parallel to the bc plane. A short inter-molecular O?N contact of 2.872?(3)?Å is also observed between the nitro and sulfonate groups.

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Project description:In the title salt, C2H5N4 (+)·C2HO4 (-), the hydrogen oxalate anions form corrugated chains parallel to the c axis, linked by inter-molecular O-H⋯O hydrogen bonds. The 5-amino-1H-1,2,4-triazol-4-ium cations are connected into centrosymmetric clusters via weak C-H⋯N hydrogen bonds forming nine-membered rings with an R 3 (3)(9) motif. These clusters are inter-connected via anions through N-H⋯O hydrogen bonds, building a three-dimensional network.

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1-{[4'-(1H-1,2,4-Triazol-2-ium-1-ylmeth-yl)biphenyl-4-yl]meth-yl}-1H-1,2,4-triazol-2-ium bis-(3-carb-oxy-5-iodo-benzoate)-5-iodo-benzene-3,5-dicarb-oxy-lic acid-water (1/2/2).

Project description:The neutral carb-oxy-lic acid mol-ecule and the carboxyl-ate anion in the title compound, C(18)H(18)N(6) (2+)·2C(8)H(4)IO(4) (-)·2C(8)H(5)IO(4)·2H(2)O, are both nearly planar (r.m.s. deviations = 0.034 and 0.045?Å, respectively). In the cation, the mid-point of the C-C bond linking the two benzene rings lies on a center of inversion, and the triazole ring is approximately perpendicular to the adjacent benzene ring [dihedral angle = 83.2?(3)°]. In the crystal, the cations, anions, carb-oxy-lic acid and lattice water mol-ecules are linked by N-H?O, O-H?N and O-H?O hydrogen bonds, generating a ribbon running along [1-10]. The crystal studied was a non-merohedral twin with the components in a 51.2?(1):48.8?(1) ratio.

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5-Amino-1H-1,2,4-triazol-4-ium-3-carboxyl-ate hemihydrate.

Project description:The asymmetric unit of the title compound, C(3)H(4)N(4)O(2)·0.5H(2)O, comprises two whole mol-ecules of 5-amino-1H-1,2,4-triazole-3-carb-oxy-lic acid in its zwitterionic form (proton transfer occurs from the carb-oxy-lic acid group to the N hetero-atom at position 1), plus one water mol-ecule of crystallization. The organic moieties are disposed into supra-molecular layers linked by N-H?O and N-H?N hydrogen bonds parallel to the bc plane. Additional O-H?O and N-H?O hydrogen bonds involving the water mol-ecules and the organic mol-ecules lead to the formation of double-deck supra-molecular arrangements which are inter-connected along the a axis via ?-? stacking [centroid-centroid distance = 3.507?(3)?Å].

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3-Meth-oxy-4-methyl-1H-1,2,4-triazol-5(4H)-one monohydrate.

Project description:In the title hydrate, C(4)H(7)N(3)O(2)·H(2)O, all the non-H atoms lie on a crystallographic mirror plane. The H atoms of both methyl groups are disordered over two sets of sites. In the crystal, N-H⋯O(w) and O(w)-H⋯O(k) (w = water and k = ketone) hydrogen bonds link the components into (010) sheets.

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4-(5-Amino-1H-1,2,4-triazol-3-yl)pyridinium chloride monohydrate.

Project description:In the cation of the title compound, C(7)H(8)N(5) (+)·Cl(-)·H(2)O, the mean planes of the pyridine and 1,2,4-triazole rings form a dihedral angle of 2.3 (1)°. The N atom of the amino group adopts a trigonal-pyramidal configuration. The N atom of the pyridine ring is protonated, forming a chloride salt. In the crystal, inter-molecular N-H⋯O, N-H⋯N, N-H⋯Cl and O-H⋯Cl hydrogen bonds link the cations, anions and water mol-ecules into layers parallel to the (1, 0, ) plane.

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