Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N'-[(E)-3-Chloro-2-fluoro-benzyl-idene]-6-methyl-nicotinohydrazide monohydrate.

ABSTRACT: The title compound, C(14)H(11)ClFN(3)O·H(2)O, exists in an E conformation with respect to the N=C bond. The pyridine ring forms a dihedral angle of 5.00 (9)° with the benzene ring. In the crystal, the ketone O atom accepts one O-H⋯O and one C-H⋯O hydrogen bond, the water O atom accepts one N-H⋯O and two C-H⋯O hydrogen bonds and the pyridine N atom accepts one O-H⋯N hydrogen bond, forming layers parallel to the ab plane.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3393933 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N'-[(E)-3-Chloro-2-fluoro-benzyl-idene]-6-methyl-nicotinohydrazide monohydrate.

Fun Hoong-Kun HK Quah Ching Kheng CK Shyma P C PC Kalluraya Balakrishna B Vidyashree J H S JH

Acta crystallographica. Section E, Structure reports online 20120616 Pt 7

The title compound, C(14)H(11)ClFN(3)O·H(2)O, exists in an E conformation with respect to the N=C bond. The pyridine ring forms a dihedral angle of 5.00 (9)° with the benzene ring. In the crystal, the ketone O atom accepts one O-H⋯O and one C-H⋯O hydrogen bond, the water O atom accepts one N-H⋯O and two C-H⋯O hydrogen bonds and the pyridine N atom accepts one O-H⋯N hydrogen bond, forming layers parallel to the ab plane. ...[more]

PMID: 22798798

Similar Datasets

N'-(5-Chloro-2-hydroxy-benzyl-idene)nicotinohydrazide.

Project description:There are two independent Schiff base mol-ecules in the asymmetric unit of the title compound, C(13)H(10)ClN(3)O(2). The dihedral angles between the benzene and pyridine rings are 12.8 (2) and 1.9 (2)° in the two mol-ecules. Intra-molecular O-H⋯N hydrogen bonds are observed. Mol-ecules are linked into centrosymmetric R(4) (4)(26) motifs by N-H⋯O and N-H⋯N inter-actions.

| S-EPMC2969359 | biostudies-literature

N'-(3-Bromo-4-methoxy-benzyl-idene)nicotinohydrazide monohydrate.

Project description:In the title compound, C(14)H(12)BrN(3)O(2)·H(2)O, the benzene ring is oriented at a dihedral angle of 39.66 (11)° with respect to the pyridine ring. The solvent water mol-ecule links with the organic compound via O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonding.

| S-EPMC2969945 | biostudies-literature

(E)-N'-(3,4-Di-meth-oxy-benzyl-idene)nicotinohydrazide monohydrate.

Project description:In the title hydrated compound, C15H15N3O3·H2O, the nicotinohydrazide mol-ecule adopts a trans conformation with respect to the C=N double bond. The dihedral angle between the benzene and pyridine rings is 5.10 (14)°. In the crystal, the solvent water mol-ecule acts as an acceptor, forming an N-H⋯O hydrogen bond supported by two C-H⋯O contacts. It also acts as a donor, forming bifurcated O-H⋯(O,O) and O-H⋯N hydrogen bonds that combine with the former contacts to form zigzag chains of mol-ecules along the c-axis direction. An additional O-H⋯O donor contact completes a set of six hydrogen bonds to and from the water mol-ecule and connects it to a third nicotinohydrazide mol-ecule. This latter contact combines with weaker C-H⋯O hydrogen bonds supported by a C-H⋯π contact to stack mol-ecules along b in a three-dimensional network.

| S-EPMC4120580 | biostudies-literature

7-Chloro-4-[(E)-N'-(4-fluoro-benzyl-idene)hydrazin-yl]quinoline monohydrate.

Project description:The mol-ecule of the title hydrate, C(16)H(11)ClFN(3)·H(2)O, is slightly twisted, as indicated by the dihedral angle of 9.55 (10)° formed between the quinoline ring system and the benzene ring. The conformation about the C=N double bond is E, and the amine-H atom is oriented towards the quinoline residue. In the crystal structure, the water mol-ecule accepts an N-H⋯O and makes two O-H⋯N(quinoline) hydrogen bonds, generating a two-dimensional array in the ab plane, which is further stabilized by C-H⋯O inter-actions. The most significant contacts between layers are of the type C-H⋯F.

| S-EPMC2980273 | biostudies-literature

N'-(2-Methyl-3-phenyl-allyl-idene)nicotinohydrazide monohydrate.

Project description:The asymmetric unit of the title compound, C(16)H(15)N(3)O·H(2)O, contains an N'-(2-methyl-3-phenyl-allyl-idene)nicotino-hydra-zide mol-ecule and a water solvent mol-ecule. The dihedral angle between the pyridine ring and the phenyl ring is 47.26 (5)°. Inter-molecular O-H⋯N, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds are found in the crystal structure. Furthermore, C-H⋯π inter-actions involving the pyridine and phenyl rings are also found.

| S-EPMC2969494 | biostudies-literature

4-[(2E)-2-(4-Chloro-benzyl-idene)hydrazinyl-idene]-1-methyl-1,4-dihydro-pyridine monohydrate.

Project description:In the title compound, C(13)H(12)ClN(3)·H(2)O, the organic mol-ecule is almost planar, with a dihedral angle of 3.22 (10)° between the benzene and pyridine rings. The crystal structure is stabilized by O-H⋯N and C-H⋯O hydrogen bonding and π-π stacking inter-actions [centroid-centroid distances = 3.630 (1) and 3.701 (1) Å].

| S-EPMC2979526 | biostudies-literature

(E)-6-Chloro-N'-(3,5-dichloro-2-hydroxy-benzyl-idene)-nicotinohydrazide.

Project description:The title Schiff base compound, C(13)H(8)Cl(3)N(3)O(2), was synthesized by the condensation reaction of 3,5-dichloro-salicyl-aldehyde with 6-chloro-nicotinic acid hydrazide in 95% ethanol. The mol-ecule is nearly planar, with a dihedral angle of 1.9 (2)° between the aromatic ring planes, and an intra-molecular O-H⋯N hydrogen bond is observed. In the crystal, the mol-ecules are connected by inter-molecular N-H⋯O hydrogen bonds into infinite chains propagating in [100].

| S-EPMC2968879 | biostudies-literature

N'-(4-Chloro-benzyl-idene)furan-2-carbohydrazide monohydrate.

Project description:In the title compound, C(12)H(9)ClN(2)O(2)·H(2)O, the dihedral angle between the aromatic rings is 13.9?(2)° and an intra-molecular N-H?O hydrogen bond occurs. In the crystal structure, the components are linked by N-H?O, O-H?O and C-H?O hydrogen bonds.

| S-EPMC2983546 | biostudies-other

4-Chloro-N'-[(E)-2-chloro-benzyl-idene]benzohydrazide monohydrate.

Project description:The title compound, C14H10Cl2N2O·H2O, has a nearly planar extended conformation [C-N-N-C = -173.66?(15)°]. The dihedral angle between the aromatic rings is 4.6?(2)°. The water mol-ecules alternate with benzohydrazide mol-ecules in chains formed by O-H?O hydrogen bonds which run parallel to the a axis. These chains are linked to neighboring chains through N-H?O and C-H?O inter-actions, forming a layer parallel to (001).

| S-EPMC4011300 | biostudies-literature

(E)-N'-(3-Bromo-5-chloro-2-hy-droxy-benzyl-idene)nicotinohydrazide.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(13)H(9)BrClN(3)O(2), in which the dihedral angles between the benzene and pyridine rings are 8.23 (9)° and 52.84 (12)°. Both the mol-ecules exist in an E configuration with respect to the C=N double bond. The two mol-ecules in the asymmetric unit are linked via weak C-H⋯O hydrogen bonds. In both the mol-ecules, an intra-molecular O-H⋯N hydrogen bond generate an S(6) graph-set motif. In the crystal, inter-molecular N-H⋯O and C-H⋯O hydrogen bonds generate bifurcated R(1) (2)(7) ring motifs. The crystal packing is further stabilized by weak inter-molecular N-H⋯O, N-H⋯N, C-H⋯O and π-π [centroid-centroid distance 3.615 (2) Å] inter-actions.

| S-EPMC3201283 | 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