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2,4-Diamino-6-methyl-1,3,5-triazin-1-ium nitrate.

ABSTRACT: In the title salt, C(4)H(8)N(5) (+)·NO(3) (-), a ring N atom of 2,6-diamino-4-methyl-triazine is protonated. Each anion is connected to three neighbouring cations by multiple N-H?O hydrogen bonds which, together with N-H?N contacts, generate a layer structure.

SUBMITTER: Fan Y

PROVIDER: S-EPMC2968528 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

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2,4-Diamino-6-methyl-1,3,5-triazin-1-ium nitrate.

Fan Ying Y You Wei W Qian Hui-Fen HF Liu Jian-Lan JL Huang Wei W

Acta crystallographica. Section E, Structure reports online 20090211 Pt 3

In the title salt, C(4)H(8)N(5) (+)·NO(3) (-), a ring N atom of 2,6-diamino-4-methyl-triazine is protonated. Each anion is connected to three neighbouring cations by multiple N-H⋯O hydrogen bonds which, together with N-H⋯N contacts, generate a layer structure. ...[more]

PMID: 21582160

Similar Datasets

2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate.

Project description:The title compound, C(4)H(8)N(5) (+)·C(2)HO(4) (-), was obtained from the reaction of oxalic acid and 2,4-diamino-6-methyl-1,3,5-triazine. The protonated triazine ring is essentially planar with a maximum deviation of 0.035?(1)?Å, but the hydrogen oxalate anion is less planar, with a maximum deviation of 0.131?(1)?Å for both carbonyl O atoms. In the crystal, the ions are linked by inter-molecular N-H?O, N-H?N, O-H?O and C-H?O hydrogen bonds, forming a three-dimensional network. Weak ?-? [centroid-centroid distance = 3.763?Å] and C-O?? inter-actions [O?centroid = 3.5300?(16)?Å, C-O?centroid = 132.19?(10)°] are also present.

| S-EPMC3344586 | biostudies-literature

2,4-Diamino-6-methyl-1,3,5-triazin-1-ium tetra-fluoro-borate.

Project description:In the crystal structure of the title salt, C(4)H(8)N(5) (+)·BF(4) (-), centrosymmetrically related cations undergo base pairing via a pair of N-H?N hydrogen bonds, forming an R(2) (2)(8) ring motif. The cations and anions inter-act via N-H?F hydrogen bonds, generating supra-molecular layers parallel to ([Formula: see text]20), which are in turn linked into a three-dimensional network, forming rings of R(6) (6)(24) graph-set motif. The crystal structure is further stabilized by ?-? stacking inter-actions [centroid-centroid distance = 3.3361?(12)?Å].

| S-EPMC3201368 | biostudies-literature

2,4-Diamino-6-methyl-1,3,5-triazin-1-ium chloride.

Project description:In the title compound, C(4)H(8)N(5) (+)·Cl(-), a two-dimensional layer packing network is observed in which every chloride anion links three adjacent 2,4-diamino-6-methyl-1,3,5-triazin-1-ium cations by N-H?Cl hydrogen-bonding inter-actions, forming 12-membered and eight-membered hydrogen-bonded rings with graph-set motifs R(4) (4)(12) and R(3) (3)(8), respectively. In addition, N-H?N hydrogen bonds are found between adjacent cations, forming another type of eight-membered [R(2) (2)(8)] hydrogen-bonded ring.

| S-EPMC2984090 | biostudies-other

2,4-Diamino-6-methyl-1,3,5-triazine ethanol solvate.

Project description:The crystal structure of the title compound, C(4)H(7)N(5)·C(2)H(6)O, is determined by extensive hydrogen bonding. A sequence of dimeric associations, formed by N-H(amino)?N(ring), connects the triazine rings into a mol-ecular tape. Mol-ecules are linked into a supra-molecular structure by N-H?O and O-H?O hydrogen bonds. The asymmetric unit consists of two formula units.

| S-EPMC2960281 | biostudies-literature

2,4-Diamino-6-methyl-1,3,5-triazine methanol solvate.

Project description:The crystal structure of the title compound, C(4)H(7)N(5)·CH(4)O, is determined by an extensive network of hydrogen bonding. A sequence of centrosymmetric dimeric associations, formed by two different N-H(amino)?N(ring) hydrogen bonds, connects the triazine rings into a planar mol-ecular tape. The methanol solvent mol-ecules act as di-acceptors and mono-donors of hydrogen bonds and inter-link, almost perpendicularly, the hydrogen-bonded tapes into a three-dimensional structure.

| S-EPMC2915324 | biostudies-literature

Crystal structure and Hirshfeld surface analysis of 2,4-di-amino-6-methyl-1,3,5-triazin-1-ium tri-chloro-acetate monohydrate.

Project description:The asymmetric unit of the title mol-ecular salt, C4H8N5+·C2Cl3O2-·H2O, coomprises a 2,4-di-amino-6-methyl-1,3,5-triazin-1-ium cation, a tri-chloro-acetate anion and a water mol-ecule of solvation. The protonated N atom of the cation forms a hydrogen bond with a carboxyl O atom of the anion, which also acts as a hydrogen-atom acceptor with the water mol-ecule. The cations form centrosymmetric dimeric units through R22(8) N-H?N bond pairs and are extended into zigzag chains along the c-axis direction, also through similar cyclic R22(8) dual N-H?N hydrogen-bonding inter-actions. The water mol-ecule acts as a dual acceptor forming N-H?O hydrogen bonds between the amine groups of the cations, forming cyclic R23(8) motifs. The second H atom of the water mol-ecule also acts as a donor in an O-H?O hydrogen bond with the second carboxyl O atom, linking the chains along the b-axis direction. These interactions give rise to an overall three-dimensional supra-molecular structure. A Hirshfeld surface analysis was employed in order to study the inter-molecular inter-actions.

| S-EPMC6038629 | biostudies-literature

Crystal structure and Hirshfeld surface analysis of 2,4-di-amino-6-phenyl-1,3,5-triazin-1-ium 4-methyl-benzene-sulfonate.

Project description:In the title mol-ecular salt, C9H10N5+·C7H7O3S-, the asymmetric unit consists of a 2,4-di-amino-6-phenyl-1,3,5-triazin-1-ium cation and a 4-methyl-benzene-sulfonate anion. The cation is protonated at the N atom lying between the amine and phenyl substituents. The protonated N and amino-group N atoms are involved in hydrogen bonding with the sulfonate O atoms through a pair of inter-molecular N-H⋯O hydrogen bonds, giving rise to a hydrogen-bonded cyclic motif with R22(8) graph-set notation. The inversion-related mol-ecules are further linked by four N-H⋯O inter-molecular inter-actions to produce a complementary DDAA (D = donor, A = acceptor) hydrogen-bonded array, forming R22(8), R42(8) and R22(8) ring motifs. The centrosymmetrically paired cations form R22(8) ring motifs through base-pairing via N-H⋯N hydrogen bonds. In addition, another R33(10) motif is formed between centrosymetrically paired cations and a sulfonate anion via N-H⋯O hydrogen bonds. The crystal structure also features weak S=O⋯π and π-π inter-actions. Hirshfeld surface and fingerprint plots were employed in order to further study the inter-molecular inter-actions.

| S-EPMC6072993 | biostudies-literature

Bis(2,4,6-triamino-1,3,5-triazin-1-ium) hydrogen phosphate trihydrate.

Project description:In the title hydrated mol-ecular salt, 2C(3)H(7)N(6) (+)·HPO(4) (2-)·3H(2)O, three of the O atoms of the hydrogen phosphate anion are disordered over two positions, with relative occupancies of 0.763?(1) and 0.237?(1). In the crystal, the components are linked by N-H?N, N-H?O and O-H?O hydrogen bonds.

| S-EPMC2980075 | biostudies-literature

3-Amino-5,6-dimethyl-1,2,4-triazin-2-ium nitrate.

Project description:In the title compound, C5H9N4 (+)·NO3 (-), the organic cations and the nitrate anions have both crystallographically imposed mirror symmetry and are linked via N-H⋯O hydrogen bonds, forming infinite chains running along the c-axis direction. The values of the N-O bond lengths [1.2256 (19)-1.2642 (18) Å] and O-N-O angles [118.39 (16)-121.64 (15)°] indicate that the nitrate anion exhibits a slightly distorted C3h geometry. The N atom of the NH2 group has sp (2) character.

| S-EPMC3684929 | biostudies-literature

5-Methyl-3,6,7,8a-tetra-hydro-2H-diimidazo[1,2-c:1',2'-e]pyrido[1,2-a][1,3,5]triazin-5-ium iodide.

Project description:The structure of the title compound, C(12)H(16)N(5) (+)·I(-), shows that the methyl-ation reaction with CH(3)I occurred at the imine N atom at position 5 of the 3,6,7,8a-tetra-hydro-2H-diimidazo[1,2-c:1',2'-e]pyrido[1,2-a][1,3,5]triazine system. In the cation, the sp(3)-hybridized C atom belonging to the fused dihydro-pyrine and dihydro-1,3,5-triazine rings deviates by 0.514?(3)?Å from the best plane defined by the remaining cationic non-H atoms. The fused dihydro-pyridine and dihydro-1,3,5-triazine rings are each in a half-chair conformation with the sp(3)-hybridized C atom as a flap. The iodide anion is 3.573?(2)?Å from the methyl-ated N atom and exhibits five short C-H?I(-) contacts with distances less than 3.16?Å. The structure has been determined from a non-merohedral twin with twin law [-1 0 0 0 - 1 0 0.115 0 1], minor domain = 0.1559?(12).

| S-EPMC2979596 | biostudies-literature

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