Browse
Submit Data
Databases
API
Help

Dataset Information

5 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-[1-(1-Naphth-yl)-1H-1,2,3-triazol-4-yl]pyridine.

ABSTRACT: In the crystal structure of the title compound, C(17)H(12)N(4), the angle between the naphthalene and 1H-1,2,3-triazole ring systems is 71.02?(4)° and that between the pyridine and triazole rings is 8.30?(9)°.

SUBMITTER: Happ B

PROVIDER: S-EPMC2977814 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2-[1-(1-Naphth-yl)-1H-1,2,3-triazol-4-yl]pyridine.

Happ Bobby B Hoogenboom Richard R Winter Andreas A Hager Martin D MD Baumann Stefan O SO Kickelbick Guido G Schubert Ulrich S US

Acta crystallographica. Section E, Structure reports online 20090430 Pt 5

In the crystal structure of the title compound, C(17)H(12)N(4), the angle between the naphthalene and 1H-1,2,3-triazole ring systems is 71.02 (4)° and that between the pyridine and triazole rings is 8.30 (9)°. ...[more]

PMID: 21583951

Similar Datasets

(1-Phenyl-1H-1,2,3-triazol-4-yl)methyl pyridine-3-carboxyl-ate.

Project description:In the title compound, C(15)H(12)N(4)O(2), the dihedral angle between the planes of the nicotino-yloxy fragment and triazole ring is 88.61?(5)°. The dihedral angle between the planes of triazole and benzene rings is 16.54?(11)°. The crystal structure is stabilized by inter-molecular C-H?N, C-H?O and C-H??(triazole) hydrogen bonds and aromatic ?-? stacking inter-actions between the benzene and triazole rings [centroid-centroid distance = 3.895?(1)?Å].

| S-EPMC3007003 | biostudies-literature

Ethyl 6-(4-cyclo-propyl-1H-1,2,3-triazol-1-yl)pyridine-3-carboxyl-ate.

Project description:In the title compound, C13H14N4O2, which has approximate mirror symmetry, the dihedral angles between the triazole ring and the cyclo-propane and pyridine rings are 87.1?(2) and 7.60?(9)°, respectively. In the crystal, inversion dimers linked by pairs of both C-H?N and C-H?O inter-actions generate R 2 (2)(6) and R 2 (2)(18) loops, respectively. Further C-H?N inter-actions form R 2 (2)(10) loops and link the dimers into [110] chains.

| S-EPMC3998301 | biostudies-literature

3-[(1-Benzyl-1H-1,2,3-triazol-5-yl)meth-yl]-6-bromo-2-phenyl-3H-imidazo[4,5-b]pyridine.

Project description:There are two crystallographically independent mol-ecules in the asymmetric unit of the title compound, C(22)H(17)BrN(6). The dihedral angles between the imidazo[4,5-b]pyridine mean plane and the phenyl rings are 20.4 (2) and 24.0 (2)° in the two mol-ecules. The orientation of triazoles compared to the imidazo[4,5-b]pyridine system is almost the same in both mol-ecules, with dihedral angles of 64.2 (2) and 65.1 (2)°. However, the main difference between the two mol-ecules lies in the arrangement of the phenyl groups compared to imidazo[4,5-b]pyridine in each mol-ecule. Indeed, in the first mol-ecule the dihedral angle between the plane of the phenyl ring and that of the imidazo[4,5-b]pyridine system is 67.7 (2)°, while in the second mol-ecule the plane of the phenyl ring is almost perpendicular to that of the imidazo[4,5-b]pyridine system with a dihedral angle of 86.0 (2)°.

| S-EPMC3099998 | biostudies-literature

5-(1-Benzyl-1H-1,2,3-triazol-4-yl)-2,1,3-benzoxadiazole.

Project description:In the title compound, C(15)H(11)N(5)O, which was prepared as part of a study to identify fluoro-genic substrates for the Cu-catalysed azide-alkyne cyclo-addition (CuAAC) reaction, the benzoxa-diazole unit and the triazole ring are much more closely coplanar [dihedral angle = 10.92?(7)°] than either is to the benzyl group [dihedral angles = 69.13?(3)° and 78.20?(4)°, respectively]. The crystal structure features two different sets of weak inter-molecular C-H?N inter-actions between adjacent benzoxadiazole and triazole rings, forming a chain that propagates in the [-110] direction parallel to the ab plane.

| S-EPMC3515234 | biostudies-literature

5-(4-Hexyl-1H-1,2,3-triazol-1-yl)-2,1,3-benzoxadiazole.

Project description:The title compound, C(14)H(17)N(5)O, a 1,2,3-triazole derivative of benzoxadiazole (C(14)H(17)N(5)O), was synthesized via Cu-catal-ysed azide-alkyne cyclo-addition (CuAAC) from the corres-ponding n-octyne and 4-azido-benzoxadiazole. The benz-oxa-diazole and triazole rings show a roughly planar orientation [dihedral angle between the ring planes = 12.18?(5)°]. The alkane chain adopts a zigzag conformation, which deviates from the central triazole ring by 20.89?(6)°. These two torsion angles result in an overall twist to the structure, with a dihedral angle of 32.86?(7)° between the benzoxadiazole group and the hexyl chain. The crystal structure features C-H?N hydrogen bonds leading to chains propagating along [2-10] and offset parallel stacking inter-actions of the triazole and benzoxadiazole rings. The centroid of the extended ?-system formed by the benzoxadiazole and triazole rings (14 atoms total) was calculated; the centroid-centroid distance was 4.179?Å, interplanar separation was 3.243?Å, and the resulting offset was 2.636?Å.

| S-EPMC3515233 | biostudies-literature

[1-(3-Chloro-phen-yl)-1H-1,2,3-triazol-4-yl]methanol hemihydrate.

Project description:The asymmetric unit of the title hydrate, C(9)H(8)ClN(3)O·0.5H(2)O, comprises two independent 1,2,3-triazole mol-ecules and a water mol-ecule of crystallization. The dihedral angles between the six- and five-membered rings in the 1,2,3-triazole mol-ecules are 12.71?(19) and 17.3?(2)°. The most significant different between them is found in the relative orientations of the terminal CH(2)OH groups with one being close to perpendicular to the five-membered ring [N-C-C-O torsion angle = 82.2?(5)°], while in the other mol-ecule, a notable deviation from a perpendicular disposition is found [torsion angle = -60.3?(5)°]. Supra-molecular chains feature in the crystal packing sustained by O-H?(O,N) inter-actions along the a-axis direction. The chains are connected via C-H?N inter-actions and the resultant layers stack along the b axis.

| S-EPMC3247347 | biostudies-literature

N-(1H-1,2,4-Triazol-5-yl)pyridine-2-carboxamide.

Project description:In the structure of the title compound, C(8)H(7)N(5)O, the pyridine ring and the imidazole ring are nearly coplanar, making a dihedral angle of 2.97 (15)°. An intra-molecular N-H⋯O hydrogen bond occurs. In the crystal mol-ecules are connected by inter-molecular hydrogen bonds and π-π stacking inter-actions between neighboring imidazole rings [centroid-centroid distance = 3.5842 (5) Å and off-set angle = 21.77°], leading to the formation of a two-dimensional supra-molecular sheet.

| S-EPMC2970976 | biostudies-literature

1-[(1-Benzyl-1H-1,2,3-triazol-4-yl)meth-yl]indoline-2,3-dione.

Project description:In the title compound, C18H14N4O2, the triazole ring makes dihedral angles of 77.32?(8) and 75.56?(9)°, respectively, with the indoline residue and the terminal phenyl group. In the crystal, mol-ecules are linked by C-H?N hydrogen bonds into tapes parallel to the b axis. The tapes are linked together by ?-? inter-actions between triazole rings [inter--centroid distance = 3.4945?(9)?Å].

| S-EPMC4011308 | biostudies-literature

4-{4-[(4-Oxoquinazolin-3-yl)meth-yl]-1H-1,2,3-triazol-1-yl}butyl acetate.

Project description:In the heterocyclic title compound, C(17)H(19)N(5)O(3), the quinazolinone ring system forms a dihedral angle of 67.22 (7)° with the triazole ring. The butyl acetate group has a non-linear conformation, with an alternation of synclinal and anti-periplanar torsion angles [N-C-C-C = 58.5 (2)°, C-C-C-C = 170.72 (19)° and C-C-C-O = -65.9 (3)°]. The crystal structure features inter-molecular C-H⋯N and C-H⋯O non-classical hydrogen bonds, building an infinite one-dimensional network along the [100] direction.

| S-EPMC3238858 | biostudies-literature

1-[5-Methyl-1-(4-nitro-phen-yl)-1H-1,2,3-triazol-4-yl]ethanone.

Project description:The asymmetric unit of the title compound, C11H10N4O3, contains two independent mol-ecules in which the benzene rings make dihedral angles of 38.3?(2) and 87.1?(2)° with respect to the triazole rings. In the crystal, the mol-ecules are linked by C-H?O hydrogen bonds, forming chains along [021]. Further, weak C-O?? [3.865?(5)?Å, 83.8?(3)°] and N-O?? [3.275?(5) and 3.240?(6)?Å, 141.8?(4) and 102.8?(3)°] inter-actions are observed.

| S-EPMC3884370 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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