Unknown

Dataset Information

0

N-[(E)-Morpholin-4-yl-methyl-idene]-1-phenyl-1H-1,2,4-triazole-3,5-diamine monohydrate.

ABSTRACT: In the title compound, C(13)H(16)N(6)O·H(2)O, the mean planes of the benzene and 1,2,4-triazole rings form a dihedral angle of 54.80?(5)°. The N atom of the amino group adopts a trigonal-pyramidal configuration. Conjugation in the amidine N=C-N fragment results in sufficient shortening of the formal single bond. In the crystal, inter-molecular N-H?O and O-H?N hydrogen bonds link mol-ecules into double layers parallel to the bc plane.

SUBMITTER: Chernyshev VM 

PROVIDER: S-EPMC3011646 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

N-[(E)-Morpholin-4-yl-methyl-idene]-1-phenyl-1H-1,2,4-triazole-3,5-diamine monohydrate.

Chernyshev V M VM   Astakhov A V AV   Ivanov V V VV   Starikova Z A ZA  

Acta crystallographica. Section E, Structure reports online 20101120 Pt 12

In the title compound, C(13)H(16)N(6)O·H(2)O, the mean planes of the benzene and 1,2,4-triazole rings form a dihedral angle of 54.80 (5)°. The N atom of the amino group adopts a trigonal-pyramidal configuration. Conjugation in the amidine N=C-N fragment results in sufficient shortening of the formal single bond. In the crystal, inter-molecular N-H⋯O and O-H⋯N hydrogen bonds link mol-ecules into double layers parallel to the bc plane. ...[more]

Similar Datasets

Unknown 3,5-Bis(4-methoxy-phen-yl)-1H-1,2,4-triazole monohydrate.
| S-EPMC2969559 | biostudies-literature
Unknown 4-{[(E)-(3-Phenyl-1H-pyrazol-4-yl)methyl-idene]amino}-1H-1,2,4-triazole-5(4H)-thione.
| S-EPMC3212330 | biostudies-literature
Unknown 5-Amino-3-methyl-1-phenyl-1H-1,2,4-triazole.
| S-EPMC2961023 | biostudies-literature
Unknown 4,4',5,5'-Tetra-phenyl-3,3'-[methyl-idene-bis(sulfanedi-yl)]bis-(4H-1,2,4-triazole).
| S-EPMC3009284 | biostudies-literature
Unknown 3-Methyl-4-{(E)-[4-(methyl-sulfan-yl)benzyl-idene]amino}-1H-1,2,4-triazole-5(4H)-thione.
| S-EPMC3648251 | biostudies-literature
Unknown Bis(5-methyl-1-phenyl-1H-1,2,3-triazole-4-carb-oxy-lic acid) monohydrate.
| S-EPMC3007252 | biostudies-literature
Unknown 2,2'-[1-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-3,5-diyl]diphenol.
| S-EPMC2960291 | biostudies-literature
Unknown 1-(2-Benzoyl-1-phenyl-eth-yl)-4-[(2-hy-droxy-1-naphth-yl)methyl-idene-amino]-3-phenyl-1H-1,2,4-triazole-5(4H)-thione.
| S-EPMC3051956 | biostudies-literature
Unknown 4-[(E)-(4-Fluoro-benzyl-idene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione.
| S-EPMC3379215 | biostudies-literature
Unknown 3-Ethyl-4-[(E)-2-methyl-benzyl-idene-amino]-1H-1,2,4-triazole-5(4H)-thione.
| S-EPMC2962033 | biostudies-literature