Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-2-[1-(3-Chloro-4-fluoro-phen-yl)ethyl-idene]hydrazinecarbothio-amide.

ABSTRACT: In the crystal of the title compound, C(9)H(9)ClFN(3)S, the molecules are inter-connected by N-H?S and N-H?F hydrogen bonds. There are two different N-H?S hydrogen bond: the stronger one links mol-ecules into infinite chains along the b axis with graph-set motif C(4), while the weaker N-H?S hydrogen bond combines with the previous one into an R(2) (2)(8) network. Moreover, the chains are linked into layers parallel to (102) by weak N-H?F hydrogen bonds, which form an R(2) (2)(22) ring motif. In addition, there are also weak ?-? inter-actions between the benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.8997?(15)?Å].

SUBMITTER: Zhai XR

PROVIDER: S-EPMC3050128 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

(E)-2-[1-(3-Chloro-4-fluoro-phen-yl)ethyl-idene]hydrazinecarbothio-amide.

Zhai Xiu-Rong XR

Acta crystallographica. Section E, Structure reports online 20101211 Pt 1

In the crystal of the title compound, C(9)H(9)ClFN(3)S, the molecules are inter-connected by N-H⋯S and N-H⋯F hydrogen bonds. There are two different N-H⋯S hydrogen bond: the stronger one links mol-ecules into infinite chains along the b axis with graph-set motif C(4), while the weaker N-H⋯S hydrogen bond combines with the previous one into an R(2) (2)(8) network. Moreover, the chains are linked into layers parallel to (102) by weak N-H⋯F hydrogen bonds, which form an R(2) (2)(22) ring motif. In ...[more]

PMID: 21522787

Similar Datasets

(E)-2-[1-(1-Benzothio-phen-3-yl)ethyl-idene]hydrazinecarbothio-amide methanol hemisolvate.

Project description:The asymmetric unit of the title compound, C(11)H(11)N(3)S(2)·0.5CH(4)O, contains four thio-semicarbazone mol-ecules and two methanol solvent mol-ecules. Each hydrazinecarbothio-amide mol-ecule adopts an E configuration with respect to the C=N double bond and is stabilized by an intra-molecular N-H⋯N hydrogen bond, resulting in an S(5) ring motif. In the crystal structure, an extensive network of N-H⋯O, N-H⋯N, O-H⋯S and N-H⋯S hydrogen bonds and weak C-H⋯O, C-H⋯N and C-H⋯S contacts together with an S⋯S [3.5958 (14) Å] and a C-H⋯π inter-action form a three-dimensional network.

| S-EPMC2961618 | biostudies-literature

(Z)-N-Ethyl-2-(5-fluoro-2-oxoindolin-3-yl-idene)hydrazinecarbothio-amide.

Project description:In the title compound, C(11)H(11)FN(4)OS, an intra-molecular N-H?O hydrogen bond generates an S(6) ring. In the crystal, mol-ecules form chains through N-H?O hydrogen bonds, which are extended by N-H?S hydrogen bonds into an infinite three-dimensional network.

| S-EPMC3470224 | biostudies-other

2-[1-(2-Hy-droxy-6-meth-oxy-phen-yl)ethyl-idene]-N-methyl-hydrazinecarbothio-amide acetonitrile monosolvate.

Project description:In the title compound, C11H15N3O2S·C2H3N, the dihedral angle between the benzene ring and the mean plane of the hydrazinecarbothio-amide group is 75.1?(2)°. In the crystal, the main mol-ecule is linked to the solvent mol-ecule by a weak N-H?N hydrogen bond while O-H?S hydrogen bonds link the mol-ecules into columns along [100].

| S-EPMC3588304 | biostudies-literature

(Z)-2-(5-Fluoro-2-oxoindolin-3-yl-idene)-N-phenyl-hydrazinecarbothio-amide.

Project description:The title compound, C(15)H(11)FN(4)OS, crystallizes with three independent mol-ecules (A, B and C) in the asymmetric unit. The dihedral angles between the nine-membered 5-fluoro-indolin-2-one ring system and the benzene ring are 22.14 (11), 12.56 (11) and 3.70 (11)° in mol-ecules A, B and C, respectively. In all three mol-ecules, intra-molecular cyclic N-H⋯O and C-H⋯S hydrogen-bonding inter-actions [graph set S(6)] are present in the N-N-C-N chain between the ring systems. In the crystal, the A mol-ecules form centrosymmetric cyclic dimers through inter-molecular N-H⋯O hydrogen bonds, which are linked into a supramolecular chain along [100] via C-H⋯F interactions; each type of hydrogen bond has graph set graph set R(2) (2)(8). A similar chain stabilised by similar interactions and also along [100] but, comprising alternating molecules of B and C is found. The latter chains are connected via C-H⋯S interactions, forming a layer with a zigzag topology parallel to (001).

| S-EPMC3274981 | biostudies-literature

(Z)-N,N-Dimethyl-2-[phen-yl(pyridin-2-yl)methyl-idene]hydrazinecarbothio-amide.

Project description:The title compound, C(15)H(16)N(4)S, exists in the Z conformation with the thionyl S atom lying cis to the azomethine N atom. The shortening of the N-N distance [1.3697 (17) Å] is due to extensive delocalization with the pyridine ring. The hydrazine-carbothio-amide unit is almost planar, with a maximum deviation of 0.013 (2) Å for the amide N atom. The stability of this conformation is favoured by the formation of an intra-molecular N-H⋯N hydrogen bond. The packing of the mol-ecules involves no classical inter-molecular hydrogen-bonding inter-actions; however, a C-H⋯π inter-action occurs.

| S-EPMC3238862 | biostudies-literature

(Z)-2-(5-Chloro-2-oxoindolin-3-yl-idene)-N-methyl-hydrazinecarbothio-amide.

Project description:In the title compound, C(10)H(9)ClN(4)OS, an intra-molecular N-H?O hydrogen-bonding inter-action and an N-H?N inter-action generate ring motifs [graph sets S(6) and S(5), respectively]. In the crystal, mol-ecules form a chain through N-H?O hydrogen bonds, and these are extended by N-H?S hydrogen-bonding inter-actions into an infinite three-dimensional network. The crystal structure also exhibits weak C-H?? inter-actions.

| S-EPMC3354764 | biostudies-literature

(E)-N-Ethyl-2-[(E)-3-(hy-droxy-imino)-butan-2-yl-idene]hydrazinecarbothio-amide.

Project description:In the crystal structure of the title compound, C(7)H(14)N(4)OS, mol-ecules are linked through N-H⋯S and O-H⋯N hydrogen bonds and C-H⋯S interactions, forming chains propagating along [21-1].

| S-EPMC3414996 | biostudies-literature

Ethyl 2-chloro-[2-(4-chloro-phen-yl)hydrazin-1-yl-idene]acetate.

Project description:The title compound, C(10)H(10)Cl(2)N(2)O(2), features a planar C(ar)-N(H)-N=C(Cl) unit [torsion angle = 5.5 (4)°] whose benzene substituent is coplanar with it [dihedral angle = 4.7 (4)°]; this unit is slightly twisted with respect to the carboxyl -CO(2) fragment [dihedral angle = 2.2 (52)°]. The amino group acts as a hydrogen-bond donor to the carbonyl O atom of an adjacent mol-ecule; the hydrogen bond generates a helical polymer that runs along the b axis of the monoclinic unit cell.

| S-EPMC3007972 | biostudies-literature

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

Project description:In the title compound, C(10)H(11)ClN(2)O, the dihedral angle between the acetohydrazide group and the aromatic ring is 33.76?(9)°. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds generate R(2) (2)(8) loops.

| S-EPMC3009114 | biostudies-literature

N'-[(E)-1-(3-Fluoro-phen-yl)ethyl-idene]formohydrazide.

Project description:In the title compound, C(9)H(9)FN(2)O, the dihedral angle between the fluoro-benzene ring and the mean plane of the side chain is 15.59?(14)°. In the crystal, the mol-ecules form inversion dimers linked by pairs of N-H?O hydrogen bonds, resulting in R(2) (2)(8) loops. These dimers are reinforced by C-H?O inter-actions.

| S-EPMC2971114 | 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