Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N'-[(E)-Benzyl-idene]-1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbohydrazide.

ABSTRACT: In the title compound, C(19)H(18)N(4)O(2), the 1,8-naphthyridine ring system is essentially planar [r.m.s. deviation = 0.011?(3)?Å]. The dihedral angle between the naphthyridine ring system and the phenyl ring is 28.95?(7)°. The carbohydrazide H atom is involved in an intra-molecular N-H?O hydrogen bond, forming a six-membered hydrogen-bonded ring. In the crystal, the mol-ecules arrange themselves into centrosymmetric dimers by means of inter-molecular C-H?O hydrogen bonds.

SUBMITTER: Deeba F

PROVIDER: S-EPMC2972033 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N'-[(E)-Benzyl-idene]-1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbohydrazide.

Deeba Farah F Khan Misbahul Ain MA Zia-Ur-Rehman Muhammad M Sahin Ertan E Caylak Nagihan N

Acta crystallographica. Section E, Structure reports online 20091121 Pt 12

In the title compound, C(19)H(18)N(4)O(2), the 1,8-naphthyridine ring system is essentially planar [r.m.s. deviation = 0.011 (3) Å]. The dihedral angle between the naphthyridine ring system and the phenyl ring is 28.95 (7)°. The carbohydrazide H atom is involved in an intra-molecular N-H⋯O hydrogen bond, forming a six-membered hydrogen-bonded ring. In the crystal, the mol-ecules arrange themselves into centrosymmetric dimers by means of inter-molecular C-H⋯O hydrogen bonds. ...[more]

PMID: 21578871

Similar Datasets

1-Ethyl-N'-[(E)-4-hydroxy-benzyl-idene]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbohydrazide.

Project description:In the crystal structure of the title compound, C(19)H(18)N(4)O(3), the fused-ring system is essentially planar [maximum deviation is 0.031 (2) Å] while the dihedral angle between the ring system and the benzene ring is 12.64 (6)°.The carbohydrazide H atom is involved in an intra-molecular N-H⋯O hydrogen bond, forming a six-membered hydrogen-bonded ring. The mol-ecules arrange themselves into centrosymmetric dimers by means of inter-molecular O-H⋯O hydrogen bonds.

| S-EPMC2969025 | biostudies-literature

Methyl 1-ethyl-7-methyl-4-oxo-1,4-di-hydro-1,8-naphthyridine-3-carboxyl-ate monohydrate.

Project description:In the structure of the title compound, C(13)H(14)N(2)O(3)·H(2)O, all atoms of the organic molecule except the terminal methyl group of the ethyl group attached to the N atom of the pyridinone ring are roughly coplanar, with an r.m.s. deviation of 0.0897?Å. In the crystal, C-H?O contacts link pairs of naphthyridine mol-ecules into head-to-tail dimers. These are joined by strong O-H?O hydrogen bonds from the water molecules into infinite chains along the a axis.

| S-EPMC3295425 | 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 ?-? stacking inter-actions [centroid-centroid distances = 3.630?(1) and 3.701?(1)?Å].

| S-EPMC2979526 | biostudies-literature

N'-(4-Methyl-benzyl-idene)thio-phene-2-carbohydrazide.

Project description:In the title compound, C(13)H(12)N(2)OS, the dihedral angle between the aromatic rings is 14.84?(17)°. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds generate R(2) (2)(8) loops.

| S-EPMC2979519 | biostudies-literature

(E)-N'-Benzyl-idene-5-methyl-isoxazole-4-carbohydrazide.

Project description:The mol-ecule of the title compound, C(12)H(11)N(3)O(2), is approximately planar with an r.m.s. deviation of 0.0814?Å from the plane through all the non-H atoms. The dihedral angle formed by the benzene and isoxazole rings is 6.88?(16)°. The mol-ecular conformation is stabilized by an intra-molecular C-H?N hydrogen bond, forming an S(6) ring, and the mol-ecule displays an E configuration with respect to the C=N double bond. In the crystal structure, inter-molecular N-H?O hydrogen bonds form centrosymmetric dimers which are further linked by weak C-H?N inter-actions augmented by very weak C-H?? contacts, forming layers parallel to (120).

| S-EPMC2980173 | biostudies-literature

Ethyl 3-(4-methyl-benzyl-idene)carbazate.

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(11)H(14)N(2)O(2), which have similar conformations. In the crystal, the mol-ecules are linked by N-H?O hydrogen bonds, generating C(4) chains propagating in [001].

| S-EPMC3006752 | biostudies-literature

Ethyl 2-(2-acetoxy-benzyl-idene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.

Project description:In the title mol-ecule, C(25)H(22)N(2)O(5)S, the atoms of the thia-zolopyrimidine ring system, with the exception of the phenyl-bearing C atom [deviation = 0.177?(2)?Å], are essentially planar [r.m.s deviation = 0.100?(2) °] and the mean plane of these atoms forms dihedral angles of 89.86?(10) and 7.97?(8)° with the phenyl and benzene rings, respectively. In the crystal, co-operative C-H?O and C-H?? inter-actions lead to a supra-molecular chain along the a axis. These chains are connected via ?-? inter-actions [centroid-centroid = 3.7523?(13)?Å].

| S-EPMC2983806 | biostudies-literature

Ethyl (Z)-2-(2-fluoro-benzyl-idene)-7-methyl-3-oxo-5-phenyl-3,5-dihydro-2H-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.

Project description:The title compound, C(23)H(19)FN(2)O(3)S, a fused-pyrimidine derivative, displays dihedral angles between the thia-zole ring and the benzene ring and substituted benzene ring of 7.10?(14) and 3.48?(12)°, respectively. The dihydro-pyrimidine ring adopts a flattened boat conformation. The olefinic double bond is in a Z configuration.

| S-EPMC3247408 | biostudies-literature

5-Methyl-N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-yl-idene]-1-phenyl-1H-1,2,3-triazole-4-carbohydrazide.

Project description:In the title compound, C18H14N6O2, the benzene ring is slightly twisted out of the plane of the 1,2,3-triazole ring (r.m.s. deviation = 0.010?Å), forming a dihedral angle of 6.20?(13)°. The nine non-H ring atoms of the fused five- and six-membered ring system are almost coplanar (r.m.s. deviation = 0.032?Å). The near coplanarity in the central residue is consolidated by an intra-molecular bifurcated N-H?(O,N) hydrogen bond. The conformation about the N=C bond is Z. In the crystal, supra-molecular chains along [101] are sustained by N-H?O hydrogen bonds and C-H?O inter-actions. These are consolidated into a three-dimensional architecture by C-H?? and ?-? inter-actions; the latter occur between centrosymmetrically related 1,2,3-triazole rings [centroid-centroid distance = 3.6056?(14)?Å].

| S-EPMC3629624 | biostudies-literature

Ethyl 2-[(Z)-3-chloro-benzyl-idene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.

Project description:In the title compound, C(23)H(19)ClN(2)O(3)S, the central pyrimidine ring is significantly puckered, assuming almost a screw boat conformation. In addition to the usual inter-molecular C-H⋯O hydrogen bonding, short intra-molecular C-H⋯S contacts and π-π stacking inter-actions [centroid-centroid distance = 3.762 (2) Å] contribute to the crystal packing.

| S-EPMC2961005 | 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