Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N'-[(E)-1-(4-Bromo-phen-yl)ethyl-idene]-2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetohydrazide.

ABSTRACT: In the title compound, C(14)H(14)BrN(5)O(3), the mean plane of the imidazole ring (r.m.s deviation = 0.004 Å) forms a dihedral angle of 58.13 (7)° with the benzene ring. In the crystal, mol-ecules are linked via N-H⋯O, C-H⋯O and C-H⋯N hydrogen bonds into a three-dimensional network. A short Br⋯Br contact of 3.4932 (2) Å also occurs.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3393992 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

N'-[1-(4-Nitro-phen-yl)ethyl-idene]acetohydrazide.

Project description:The title compound, C(10)H(11)N(3)O(3), was prepared by the reaction of acetohydrazide and 1-(4-nitro-phen-yl)ethanone. The asymmetric unit contains two crystallographically independent mol-ecules. Inversion-related mol-ecules form dimers, in which two N-H⋯O hydrogen bonds generate an inter-molecular R(2) (2)(8) ring.

| S-EPMC2967984 | biostudies-literature

2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-bromo-benzoate.

Project description:In the title compound, C(13)H(12)BrN(3)O(4), the dihedral angle between the benzene and imidazole rings is 30.6?(2)°. In the crystal, mol-ecules are linked into chains parallel to [001] by C-H?O hydrogen bonds. The crystal packing is further consolidated by ?-? inter-actions [centroid-centroid distance = 3.482?(2)?Å].

| S-EPMC3344152 | biostudies-literature

(E)-N'-(4-Meth-oxy-benzyl-idene)-2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetohydrazide.

Project description:In the title compound, C(14)H(15)N(5)O(4), the central -C=N-N-C(=O)-C- bridge is nearly planar [maximum deviation = 0.037?(1)?Å] and forms dihedral angles of 7.37?(9) and 73.33?(5)°, respectively, with the benzene and imidazole rings. The dihedral angle between the benzene and imidazole rings is 66.08?(9)°. The meth-oxy and nitro groups are nearly coplanar with the benzene and imidazole rings, respectively, with a C-O-C-C torsion angle of 5.9?(2)° and an O-N-C-C angle of -0.2?(2)°. In the crystal, mol-ecules are linked by a pair of N-H?O hydrogen bonds with an R(2) (2)(8) ring motif, forming an inversion dimer. The dimers are further inter-connected by C-H?O hydrogen bonds into a sheet parallel to the (111) plane. A C-H?? inter-action is also observed between the sheets.

| S-EPMC3470350 | biostudies-literature

2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-nitro-benzoate.

Project description:In the title compound, C(13)H(12)N(4)O(6), the mean plane through the nitro-benzene forms a dihedral angle of 37.38?(15)° with the plane through the imidazole ring. The crystal packing is stabilized by weak inter-molecular C-H?O and C-H?N inter-actions together with ?-? stacking inter-actions between nitro-benzene rings [centroid-centroid distance = 3.788?(3)?Å] and between imidazole rings [centroid-centroid distance = 3.590?(2)?Å].

| S-EPMC2983685 | biostudies-literature

Ethyl 2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetate.

Project description:In the title compound, C(8)H(11)N(3)O(4), the dihedral angle between the imidazole ring and the ethyl acetate plane is 103.1?(8)°. The crystal packing is stabilized by weak inter-molecular C-H?O and C-H?N hydrogen bonds.

| S-EPMC2983319 | biostudies-literature

2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl N-methyl-carbamate.

Project description:In the title compound, C(8)H(12)N(4)O(4), the essentially planar methyl-carbamoyloxymethyl group [maximum deviation 0.038?(3)?Å] and the imidazole ring make a dihedral angle of 48.47?(3)°. The crystal packing is stabilized by inter-molecular N-H?N and C-H?O hydrogen bonds, which link the mol-ecules into infinite ribbons running along the a axis, and by weak ?-? stacking inter-actions [centroid-centroid distance = 3.894?(2)?Å].

| S-EPMC2968038 | biostudies-literature

2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl methane-sulfonate.

Project description:The asymmetric unit of the title compound, C(7)H(11)N(3)O(5)S, contains two independent mol-ecules with virtually identical conformations. The imidazole rings of both mol-ecules are essentially planar (r.m.s. deviations = 0.0019 and 0.0038?Å), with a dihedral angle 9.25?(19)° between them. The nitro groups are oriented at 4.5?(2) and 6.44?(13)° with respect to the imidazole rings. In the crystal, mol-ecules are linked to form a three-dimensional framework by C-H?O and C-H?N hydrogen bonds.

| S-EPMC3435813 | biostudies-literature

N'-[1-(4-Chloro-phen-yl)ethyl-idene]-5-methyl-1-(4-nitro-phen-yl)-1H-1,2,3-triazole-4-carbohydrazide.

Project description:In the title compound, C(18)H(15)ClN(6)O(3), the 1,2,3-triazole ring forms dihedral angles of 15.64 (5) and 57.50 (5)° with the two benzene rings. The dihedral angle between the two benzene rings is 72.26 (5)°. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds into chains propagating along the b axis. A short O⋯C contact of 2.9972 (13) Å is observed.

| S-EPMC3393971 | biostudies-literature

2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-bromo-benzoate.

Project description:The mol-ecule of the title compound, C(13)H(12)BrN(3)O(4), is non-planar, as indicated in the dihedral angle of 59.5?(4)° formed between the least-squares planes through the imidazole and benzene rings. In the crystal, mol-ecules are connected via C-H?O contacts, forming a supra-molecular chain.

| S-EPMC2977841 | biostudies-other

2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluoro-benzoate.

Project description:In the title compound, C(13)H(12)FN(3)O(4), the dihedral angle between the benzene and imidazole rings is 32.77 (12)°. In the crystal, mol-ecules are linked into a three-dimensional network by C-H⋯O hydrogen bonds.

| S-EPMC3343933 | 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