Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(Naphthalen-1-yl-methyl-idene)-4H-1,2,4-triazol-4-amine.

ABSTRACT: In the title mol-ecule, C(13)H(10)N(4), the dihedral angle between the triazole ring and the naphthalene ring system is is 56.1?(2)°. In the crystal, mol-ecules are connected by weak C-H?N hydrogen bonds into chains along [100]. A short intra-molecular C-H?N contact is also observed.

SUBMITTER: Yang P

PROVIDER: S-EPMC3470335 | biostudies-other | 2012 Oct

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

N-(Naphthalen-1-yl-methyl-idene)-4H-1,2,4-triazol-4-amine.

Yang Pan P Ding Bin B Du Gui-Xiang GX

Acta crystallographica. Section E, Structure reports online 20120922 Pt 10

In the title mol-ecule, C(13)H(10)N(4), the dihedral angle between the triazole ring and the naphthalene ring system is is 56.1 (2)°. In the crystal, mol-ecules are connected by weak C-H⋯N hydrogen bonds into chains along [100]. A short intra-molecular C-H⋯N contact is also observed. ...[more]

PMID: 23125748

Similar Datasets

(E)-N-Benzyl-idene-4H-1,2,4-triazol-4-amine.

Project description:The title compound, C(9)H(8)N(4), crystallizes with three independent mol-ecules (A, B and C) per asymmetric unit. The independent mol-ecules differ slightly in their conformations, the dihedral angles between the triazole and phenyl rings in mol-ecules A, B and C being 4.8?(2), 9.7?(2) and 7.2?(2)°, respectively. In the crystal, the independent mol-ecules are linked into a trimer by C-H?N hydrogen bonds.

| S-EPMC2983682 | biostudies-literature

N-[(E)-2-Chloro-benzyl-idene]-3-(4-methyl-benzyl-sulfan-yl)-5-(3,4,5-trimethoxy-phen-yl)-4H-1,2,4-triazol-4-amine.

Project description:In the title compound, C(26)H(25)ClN(4)O(3)S, the acyclic imine group exhibits an E configuration. The triazole ring is oriented at dihedral angles of 53.84?(2), 70.77?(1) and 32.59?(3)° with respect to the benzene rings of the 2-chloro-benzyl-idene, 4-methyl-benzyl-sulfanyl and 3,4,5-trimethoxy-phenyl groups, respectively. The crystal packing is stabilized by weak inter-molecular C-H?N, C-H?S and C-H?? inter-actions.

| S-EPMC2968782 | biostudies-literature

N-[(E)-(5-Methyl-thio-phen-2-yl)methyl-idene]-1H-1,2,4-triazol-3-amine.

Project description:In the title Schiff base, C(8)H(8)N(4)S, a condensation product of 5-methyl-thio-phene-2-carboxaldehyde and 3-amino-1,2,4-triazole, the dihedral angle between the triazolyl and thienyl rings is 6.44?(14)°. The compound exists as a polymeric chain arising from inter-molecular N-H?N bonding.

| S-EPMC2968039 | biostudies-literature

N-[(Z)-(1-Methyl-1H-pyrrol-2-yl)methyl-idene]-1H-1,2,4-triazol-5-amine.

Project description:In the title compound, C(8)H(9)N(5), a Schiff base derived from N-methyl-pyrrole-2-carbaldehyde and 3-amino-1,2,4-triazole, the C=N double bond linking the two aromatic rings has a Z conformation. The two rings are twisted by 24.20 (5)°. A chain motif results from N-H⋯N hydrogen bonding.

| S-EPMC2967972 | biostudies-literature

N-[4-(Dimethyl-amino)-benzyl-idene]-4H-1,2,4-triazol-4-amine.

Project description:The title compound, C(11)H(13)N(5), is a Schiff base synthesized by the reaction of 4-amino-4H-1,2,4-triazole and 4-(dimethyl-amino)-benzaldehyde. The dihedral angle between the benzene and triazole rings is 43.09 (11)°. The crystal structure displays weak C-H⋯N inter-actions.

| S-EPMC3344478 | biostudies-literature

Poly[[diaqua-{N-[1-(3-pyrid-yl)ethyl-idene]-4H-1,2,4-triazol-4-amine}zinc(II)] bis-(perchlorate)].

Project description:In the title compound, {[Zn(C(9)H(9)N(5))(2)(H(2)O)(2)](ClO(4))(2)}(n), the Zn(II) ion lies on an inversion center and is coordinated by two triazolyl N atoms and two pyridyl N atoms from four symmetry-related N-1-(3-pyrid-yl)ethyl-idene-4H-1,2,4-triazol-4-amine (L) ligands and two O atoms from coordinated water mol-ecules in a slightly distorted octa-hedral environment. Each L ligand bridges symmetry-related Zn(II) ions, forming a two-dimensional layer with a (4,4) grid. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds connect perchlorate counter-anions to the layers.

| S-EPMC2977576 | biostudies-literature

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.

| S-EPMC3008083 | biostudies-literature

<i>N</i>-[(<i>E</i>)-Quinolin-2-yl-methyl-idene]-1,2,4-triazol-4-amine hemihydrate.

Project description:The title hemihydrate, C12H9N5·0.5H2O, was isolated from the condensation reaction of quinoline-2-carbaldehyde with 4-amino-4H-1,2,4-triazole. The Schiff base mol-ecule adopts an E configuration about the C=N bond and is approximately planar, with a dihedral angle between the quinoline ring system and the 1,2,4-triazole ring of 12.2 (1)°. In the crystal, one water mol-ecule bridges two Schiff base mol-ecules via O-H⋯N hydrogen bonds. The Schiff base mol-ecules are inter-connected by π-π stacking inter-actions [centroid-centroid distances of 3.7486 (7) and 3.9003 (7) Å] into columns along [10].

| S-EPMC9462182 | biostudies-literature

2-(Naphthalen-1-yl)-4-(naphthalen-1-yl-methyl-idene)-1,3-oxazol-5(4H)-one.

Project description:In the title compound, C(24)H(15)NO(2), the oxazole ring is oriented at dihedral angles of 10.09?(4) and 6.04?(4)° with respect to the mean planes of the naphthalene ring systems, while the two naphthalene ring systems make a dihedral angle of 4.32?(3)°. Intra-molecular C-H?N hydrogen bonds link the oxazole N atom to the naphthalene ring systems. In the crystal, inter-molecular weak C-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers. ?-? contacts between the oxazole and naphthalene rings and between the naphthalene ring systems [centroid-centroid distances = 3.5947?(9) and 3.7981?(9)?Å] may further stabilize the crystal structure. Three weak C-H?? inter-actions also occur.

| S-EPMC3089157 | biostudies-literature

(E)-3-Allyl-sulfanyl-N-(4-methoxy-benzyl-idene)-5-(3,4,5-trimethoxy-phen-yl)-4H-1,2,4-triazol-4-amine.

Project description:The title compound, C(22)H(24)N(4)O(4)S, adopts a trans configuration with respect to the C=N double bond. A weak intra-molecular C-H?N hydrogen bond is observed between the N atom of the C=N double bond and its neighboring phenyl H atom. The crystal structure is stabilized by inter-molecular C-H?N hydrogen bonds and C-H?? inter-actions.

| S-EPMC2968670 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data