Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-Cyclo-hexyl-pyrrolidine-1-carbothio-amide.

ABSTRACT: In the title mol-ecule, C(11)H(20)N(2)S, the five-membered ring has an envelope conformation and the cyclo-hexane ring is in a chair conformation. The N-H group is not involved in any intra- or inter-molecular inter-actions.

SUBMITTER: Li YF

PROVIDER: S-EPMC3344154 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-Cyclo-hexyl-pyrrolidine-1-carbothio-amide.

Li Yu-Feng YF

Acta crystallographica. Section E, Structure reports online 20120328 Pt 4

In the title mol-ecule, C(11)H(20)N(2)S, the five-membered ring has an envelope conformation and the cyclo-hexane ring is in a chair conformation. The N-H group is not involved in any intra- or inter-molecular inter-actions. ...[more]

PMID: 22606157

Similar Datasets

2-Cyclo-hexyl-idene-N-methyl-hydrazine-carbothio-amide.

Project description:The title compound C(8)H(15)N(3)S has two mol-ecules in the asymmetric unit in which cis-trans isomerism is exhibited around the N(NH)C=S bonds. The cyclo-hexyl rings in both mol-ecules adopt a chair conformation. In the crystal, N-H?S hydrogen bonding produces dimers, which are inter-connected through further N-H?S hydrogen bonds, forming chains along the b-axis direction.

| S-EPMC3515211 | biostudies-literature

N-Methyl-pyrrolidine-1-carbothio-amide.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(6)H(12)N(2)S, in which the N-methyl-thio-formamide unit and the pyrrolidine ring mean plane are oriented at dihedral angles of 5.9?(5) and 5.9?(4)°. In the crystal, zigzag C(4) chains extending along the a axis are formed due to N-H?S hydrogen bonds between alternate arrangements of mol-ecules. The chains are inter-linked by C-H?S hydrogen bonds.

| S-EPMC3379299 | biostudies-literature

N-Phenyl-pyrrolidine-1-carbothio-amide.

Project description:The title compound, C(11)H(14)N(2)S, was prepared by the reaction of 1-isothio-cyanato-benzene and pyrrolidine. In the crystal structure, inter-molecular N-H⋯S inter-actions are present.

| S-EPMC2967966 | biostudies-literature

(2E)-2-(5-Bromo-2-hy-droxy-3-meth-oxy-benzyl-idene)-N-cyclo-hexyl-hydrazine-carbothio-amide.

Project description:The title compound, C(15)H(20)BrN(3)O(2)S, crystallizes in the thio-amide form and adopts an E,E conformation with respect to the azomethine and hydrazinic bonds, respectively. The mol-ecules are paired through N-H?O and O-H?S hydrogen bonds, leading to the formation of centrosymmetric dimers in the crystal. These dimers are stacked along the a axis and are inter-connected through N-H?S hydrogen bonds to generate polymeric chains. The structure also features C-H?? interactions. An intra-molecular O-H?O bond is also present.

| S-EPMC3297895 | biostudies-other

(E)-2-(2-Methyl-cyclo-hexyl-idene)hydrazinecarbothio-amide.

Project description:In the crystal of the title compound, C(8)H(15)N(3)S, mol-ecules are linked by N-H?S hydrogen bonds, forming chains along [1[Formula: see text]0]. An intra-molecular N-H?N hydrogen bond is also present.

| S-EPMC3247404 | biostudies-literature

4-Methoxy-benzene-carbothio-amide.

Project description:The asymmetric unit of the title compound, C(8)H(9)NOS, contains two independent mol-ecules with the meth-oxy groups oriented in opposite conformations. The mean planes of the carbothio-amide groups are tilted by 7.88?(15) and 11.16?(9)° from the mean planes of the benzene rings. In the crystal, the mol-ecules form dimers via intermolecular N-H?S inter-molecular hydrogen bonds, resulting in eight-membered rings of R(2) (2)(8) graph-set motif. The dimers are further linked by C-H?O hydrogen bonds into chains along the c axis. Adjacent chains inter-act through inter-molecular N-H?S hydrogen bonds, generating eight-membered rings of R(4) (2)(8) graph-set motif.

| S-EPMC2979506 | biostudies-literature

4-Methyl-benzene-carbothio-amide.

Project description:In the title mol-ecule, C(8)H(9)NS, the mean plane of the carbothio-amide group is twisted slightly with respect to the mean plane of the benzene ring, making a dihedral angle of 17.03?(10)°. The crystal structure is stabilized by inter-molecular N-H?S hydrogen bonds, resulting in the formation of eight-membered rings lying about inversion centers and representing R(2) (2)(8) and R(4) (2)(8) motifs. Futhermore, these hydrogen bonds build up chains parallel to the b axis.

| S-EPMC2979520 | biostudies-literature

N-Phenyl-piperidine-1-carbothio-amide.

Project description:The title compound, C(12)H(16)N(2)S, was prepared by the reaction of with phenyl isothio-cyanate and piperidine. In the crystal structure, the mol-ecule exhibits inter-molecular N-H?S hydrogen bonds and weak intra-molecular C-H?S and C-H?N hydrogen-bonding inter-actions.

| S-EPMC2960655 | biostudies-literature

(Benzene-carbothio-amide-?S)-penta-carbonyl-tungsten(0).

Project description:The asymmetric unit of the title complex, [W(C(7)H(7)NS)(CO)(5)], comprises two independent mol-ecules. In each, the W atom is coordinated by five CO groups and the S atom of the benzencarbothioamide ligand in a distorted octa-hedral geometry. The crystal packing can be described as undulating layers of W(CO)(5) and benzene-carbothio-amide parallel to (001). In the crystal, components are linked via inter-molecular N-H?O and C-H?O hydrogen bonds to form a dimeric chains along the [010] direction. Intra-molecular N-H?C inter-actions are also observed.

| S-EPMC3100038 | biostudies-literature

4-Benzyl-N-methyl-piperazine-1-carbothio-amide.

Project description:The asymmetric unit in the title thio-urea derivative, C(13)H(19)N(3)S, comprises three independent mol-ecules (A, B and C). The thio-urea groups are superimposable for the three mol-ecules, but there are significant conformational differences. Mol-ecules A and B are approximate mirror images of each other, and mol-ecule C has an inter-mediate conformation. The dihedral angles between the thio-urea groups and the phenyl rings are 52.10?(5), 63.29?(5) and 66.46?(6)° in mol-ecules A, B and C, respectively. Each independent mol-ecule self-associates into a supra-molecular chain along [100] via N-H?S hydrogen bonds. Mol-ecules of A and B assemble into layers four mol-ecules thick in the ac plane via C-H?S and C-H?? inter-actions. Mol-ecules of C self-assemble into layers in the ac plane via C-H?S inter-actions. The layers stack along the b axis with no specific inter-actions between them.

| S-EPMC3295486 | 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