Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5-(4-Methyl-3-nitro-phen-yl)-1H-tetra-zole.

ABSTRACT: In the title compound, C(8)H(7)N(5)O(2), the benzene ring makes a dihedral angle of 38.27?(11)° with the tetra-zole ring. The crystal structure is stabilized by N-H?N hydrogen bonds, forming an infinite one-dimensional chain parallel to the a axis.

SUBMITTER: Dai W

PROVIDER: S-EPMC2962076 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

5-(4-Methyl-3-nitro-phen-yl)-1H-tetra-zole.

Dai Wei W Fu Da-Wei DW

Acta crystallographica. Section E, Structure reports online 20080709 Pt 8

In the title compound, C(8)H(7)N(5)O(2), the benzene ring makes a dihedral angle of 38.27 (11)° with the tetra-zole ring. The crystal structure is stabilized by N-H⋯N hydrogen bonds, forming an infinite one-dimensional chain parallel to the a axis. ...[more]

PMID: 21203160

Similar Datasets

5-(2-Methyl-5-nitro-phen-yl)-1H-tetra-zole.

Project description:In the title compound, C(8)H(7)N(5)O(2), the benzene ring makes a dihedral angle of 45.7?(2)° with the tetra-zole ring. In the crystal structure, the mol-ecules are linked into a chain running along the a axis by N-H?N hydrogen bonds, and the chains are linked through ?-? inter-actions between the tetra-zole rings [centroid-centroid distance = 3.450?(2)?Å].

| S-EPMC2959255 | biostudies-literature

5-[4-(1H-Imidazol-1-yl)phen-yl]-1H-tetra-zole.

Project description:In the title compound, C(10)H(8)N(6), the tetra-zole and benzene rings are close to being coplanar [dihedral angle = 9.90?(16)°], but the imidazole ring is rotated 37.18?(09)° out of the benzene plane. In the crystal, mol-ecules are connected through tetra-zole-imidazole N-H?N hydrogen bonds, giving rise to zigzag chains, which extend along [010].

| S-EPMC3344427 | biostudies-literature

5-(4-Nitro-benz-yl)-1H-1,2,3,4-tetra-zole.

Project description:In the title compound, C(8)H(7)N(5)O(2), the dihedral angle between the benzene and tetra-zole rings is 63.13?(8)°. The crystal structure exhibits inter-molecular N-H?N hydrogen bonds which lead to the formation of one-dimensional chains along the [010] direction.

| S-EPMC3009168 | biostudies-literature

1-(4-Chloro-phen-yl)-1H-1,2,3,4-tetra-zole.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(7)H(5)ClN(4), in which the tetra-zole and benzene rings are twisted by dihedral angles of 12.9?(1) and 39.8?(1)°. In the crystal, the independent mol-ecules are connected into a tetra-mer by C-H?N hydrogen bonds, generating an R(4) (4)(12) graph-set motif.

| S-EPMC3344479 | biostudies-literature

1-(4-Methyl-phen-yl)-1H-1,2,3,4-tetra-zole.

Project description:In the title compound, C(8)H(8)N(4), the dihedral angle between the tetra-zole and benzene rings is 21.6?(1)°. An inter-molecular C-H?? inter-action is observed.

| S-EPMC3275071 | biostudies-other

5-[4-(1H-Imidazol-1-yl)phen-yl]-2H-tetra-zole dihydrate.

Project description:In the title compound, C(10)H(8)N(6)·2H(2)O, the central aromatic ring makes dihedral angles of 23.59?(15) and 16.99?(16)° with the terminal imidazole and tetra-zole rings, respectively, which are themselves almost coplanar [dihedral angle = 6.61?(18)°]. Two H atoms of the two water mol-ecules are half occupied. In the crystal packing, weak inter-molecular O-H?N, O-H?O and N-H?N hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distances of 3.73?(4)?Å between benzene rings and 3.66?(3)?Å between imidazole and tetra-zole rings] are observed.

| S-EPMC3120333 | biostudies-literature

1-(4-Methyl-phen-yl)-2-[4-(trifluoro-methyl)phen-yl]-1H-phenanthro[9,10-d]imida-zole.

Project description:In the title compound, C29H19F3N2, the tetra-cyclic ring system is essentially planar [maximum deviation from the best plane = 0.076?(1)?Å] and makes dihedral angles of 78.10?(5) and 33.71?(4)° with the methyl-phenyl and fluoro-phenyl rings, respectively. An intra-molecular C-H?? inter-action occurs. In the crystal, pairs of C-H?? inter-actions link inversion-related mol-ecules.

| S-EPMC3648243 | biostudies-literature

Bis{1-[(1H-benzimidazol-1-yl)methyl-?N]-1H-1,2,3,4-tetra-zole}silver(I) nitrate.

Project description:In the title salt, [Ag(C(9)H(8)N(6))(2)]NO(3), the central Ag(I) atom is linearly coordinated by the N atoms [171.97?(8)°] from two 1-[(benzimidazol-1-yl)meth-yl]-1H-1,2,3,4-tetra-zole ligands. The benzimidazole rings in adjacent mol-ecules are parallel with an average inter-planar distance of 3.461?Å; adjacent mol-ecules are linked through N-H?O hydrogen bonds into a linear chain along the b-axis direction.

| S-EPMC2983535 | biostudies-literature

5-(4-Chloro-phen-yl)-1H-tetra-zole.

Project description:The two independent mol-ecules of the title compound, C(7)H(5)ClN(4), both lie on a twofold rotation axis that passes through the centroids of the five- and six-membered rings and the attached Cl C atom. One molecule is nearly planar [dihedral angle between rings = 0.22?(6)°], whereas the other is significantly twisted [dihedral angle = 17.38?(6)°]. In the crystal, adjacent mol-ecules are linked by N-H?N hydrogen bonds into a chain structure.

| S-EPMC2983818 | biostudies-other

(4-Methyl-phen-yl)[1-(4-methyl-phen-yl)-3-(5-nitro-2-fur-yl)-1H-pyrazol-4-yl]methanone.

Project description:In the title pyrazole compound, C(22)H(17)N(3)O(4), an intra-molecular C-H?O contact generates a seven-membered ring, producing an S(7) ring motif. The furan and pyrazole rings are essentially planar [maximum deviations = 0.004?(1) and 0.004?(2)?Å, respectively] and are almost coplanar, making a dihedral angle of 3.75?(10)°. One of the methyl-phenyl groups is inclined to the pyrazole ring, as indicated by the dihedral angle of 48.41?(9)°. In the crystal structure, mol-ecules are linked into chains along [10] by C-H?O contacts. The crystal structure is further stabilized by ?-? inter-actions [centroid-centroid distance = 3.4437?(10)?Å].

| S-EPMC2972131 | 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