Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N'-[(E)-(1-Methyl-1H-pyrrol-2-yl)methyl-idene]pyridine-4-carbohydrazide.

ABSTRACT: In the title compound, C(12)H(12)N(4)O, the pyridine and pyrrole rings are inclined at an angle of 29.22?(8)° and an intra-molecular C-H?N inter-action geneates an S(6) ring. In the crystal, mol-ecules are linked by N-H?N hydrogen bonds, forming (010) C(7) chains. The chains are cross-linked by weak C-H?O inter-actions, which generate R(2) (2)(18) ring motifs within an infinite sheet. Finally, two C-H?? inter-actions are present, where the C-H groups are from the pyridine ring and ? is the pyrrole ring.

SUBMITTER: Hussain A

PROVIDER: S-EPMC3006824 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

N'-[(E)-(1-Methyl-1H-pyrrol-2-yl)methyl-idene]pyridine-4-carbohydrazide.

Hussain Abid A Tahir M Nawaz MN Shafiq Zahid Z Yaqub Muhammad M Mazhar Muhammad M

Acta crystallographica. Section E, Structure reports online 20100630 Pt 7

In the title compound, C(12)H(12)N(4)O, the pyridine and pyrrole rings are inclined at an angle of 29.22 (8)° and an intra-molecular C-H⋯N inter-action geneates an S(6) ring. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds, forming (010) C(7) chains. The chains are cross-linked by weak C-H⋯O inter-actions, which generate R(2) (2)(18) ring motifs within an infinite sheet. Finally, two C-H⋯π inter-actions are present, where the C-H groups are from the pyridine ring and π is the pyrro ...[more]

PMID: 21588075

Similar Datasets

N'-[(E)-Furan-2-yl-methyl-idene]pyridine-3-carbohydrazide.

Project description:The title compound, C(11)H(9)N(3)O(2), exists in the E conformation with respect to the azomethane C=N bond, and has the keto form. There are two independent mol-ecules in the asymmetric unit and each of these features a slight slanting of the pyridine and furan rings, which form a dihedral angle of 14.96 (10)° in one of the mol-ecules and 5.53 (10)° in the other. The crystal structure is stabilized by N-H⋯O and N-H⋯N hydrogen bonds, weak C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π inter-actions and π-π inter-actions [shortest centroid-centroid distance = 3.7864 (15) Å].

| S-EPMC3238925 | biostudies-literature

2-[(1-Methyl-1H-pyrrol-2-yl)methyl-idene]propane-dinitrile.

Project description:In the title compound, C(9)H(7)N(3), the N-bound methyl group and vinyl H atom are syn. The 12 non-H atoms comprising the mol-ecule are essentially coplanar (r.m.s. deviation = 0.071?Å). Supra-molecular tapes feature in the crystal packing, orientated perpendicular to [10-1], and are formed by C-H?N inter-actions involving each cyano N atom. The tapes are connected into layers via ?-? inter-actions occurring between translationally related pyrrole rings [ring centroid-centroid distance = 3.8754?(10)?Å]; the layers stack along the b axis.

| S-EPMC3344110 | biostudies-literature

N'-[(E)-(1-Methyl-1H-pyrrol-2-yl)methyl-idene]benzohydrazide.

Project description:In the title compound, C(13)H(13)N(3)O, the phenyl and pyrrole rings are inclined at 47.45?(8)°. In the crystal, inter-molecular N-H?O and C-H?O hydrogen bonds form R(2) (1)(6) ring motifs. Mol-ecules connected through these hydrogen bonds are arranged into polymeric chains extending along the c axis.

| S-EPMC3007219 | 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

(E)-2,4,6-Trimethyl-N-[(1H-pyrrol-2-yl)methyl-idene]aniline.

Project description:The title compound, C14H16N2, is a pyrrole-2-carbaldimine ligand that shows an E conformation at the imine double bond. The dihedral angle between the rings is 78.3?(1)°. In the crystal, pairs of mol-ecules form centrosymmetric dimers [graph-set descriptor is presumably R(2)2(10)] via N-H?N hydrogen bonds between the pyrrole N-H group and the imine N atom of a neighbouring mol-ecule.

| S-EPMC3588225 | biostudies-literature

2-Methyl-N-[1-(1H-pyrrol-2-yl)ethyl-idene]aniline.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C13H14N2, in which the dihedral angles formed by the pyrrole and benzene rings are 83.63 (8) and 87.84 (8)°. In the crystal, mol-ecules are linked via pairs of N-H⋯N hydrogen bonds, forming inversion dimers, which are further connected by C-H⋯π inter-actions.

| S-EPMC3588931 | biostudies-literature

2,3-Dimethyl-N-[(E)-(1H-pyrrol-2-yl)methyl-idene]aniline.

Project description:In the title compound, C(13)H(14)N(2), the dihedral angle between the aromatic rings is 69.73 (14)°. In the crystal, inversion dimers linked by pairs of N-H⋯N hydrogen bonds generate R(2) (2)(10) loops. A weak C-H⋯π inter-action also occurs.

| S-EPMC3008077 | biostudies-literature

N'-[(E)-(3-Fluoro-pyridin-2-yl)methyl-idene]pyridine-3-carbohydrazide dihydrate.

Project description:The organic molecule in the title dihydrate, C12H9FN4O·2H2O, exists in the E conformation with respect to the azo-methane C=N double bond. The mol-ecule is approximately planar, with a maximum deviation of 0.117 (1) Å for the carbonyl O atom from the mean plane of the mol-ecule. Both pyridine rings are essentially coplanar with the central C(=O)N2C unit [dihedral angles = 1.99 (7) and 5.71 (8)°], exhibiting a significant difference in dihedral angles from its benzohydrazide analogue. The crystal packing features N-H⋯O, O-H⋯N and O-H⋯O hydrogen-bond inter-actions, which lead to the formation of a chain along the c-axis direction through one of the water mol-ecules present, and these chains are stacked one over the other by means of π-π inter-actions [with centroid-centroid distances of 3.7099 (10) and 3.6322 (10) Å] between the aromatic rings in neighbouring anti-parallel mol-ecules, building a three-dimensional supra-molecular network.

| S-EPMC3998601 | biostudies-literature

Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl-idene}hydroxyl-amine.

Project description:The title compound, C15H14N4O, crystallizes with two mol-ecules in the asymmetric unit with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.175?Å). In the first mol-ecule, the dihedral angles between the planes of the central pyrazole ring and the pendant phenyl and pyrrole rings are 42.69?(8) and 51.88?(6)°, respectively, with corresponding angles of 54.49?(7) and 49.61?(9)°, respectively, in the second mol-ecule. In the crystal, the two mol-ecules, together with their inversion-symmetry counterparts, are linked into tetra-mers by O-H?N hydrogen bonds. The tetra-mers form layers parallel to (211) through pairwise C-H?? inter-actions.

| S-EPMC4257281 | biostudies-literature

4-[2-(4-Fluoro-phen-yl)-1H-pyrrol-3-yl]pyridine.

Project description:In the crystal structure of the title compound, C(15)H(11)FN(2), the pyrrole ring makes dihedral angles of 33.19?(9) and 36.33?(10)° with the pyridine and 4-fluoro-phenyl rings, respectively. The pyridine ring makes a dihedral angle of 46.59?(9)° with the 4-fluoro-phenyl ring. In the crystal structure, an N-H?N hydrogen bond joins the mol-ecules into chains.

| S-EPMC2968667 | 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