Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Potassium morpholine-4-carbodithio-ate monohydrate.

ABSTRACT: In the ionic title compound, K(+)·C(5)H(8)NOS(2) (-)·H(2)O, the morpholine ring of the morpholine-4-carbodithio-ate anion has a chair conformation. The potassium cation is coordinated by four S and four O atoms in a bipyramidal reversed geometry. In the crystal, the three components are linked, generating infinite two-dimensional networks that lie parallel to the bc plane. These layers are linked via O-H?S hydrogen bonds, forming a three-dimensional structure.

SUBMITTER: Mafud AC

PROVIDER: S-EPMC3414100 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Potassium morpholine-4-carbodithio-ate monohydrate.

Mafud Ana C AC Gambardella Maria Teresa Prado MT

Acta crystallographica. Section E, Structure reports online 20120704 Pt 8

In the ionic title compound, K(+)·C(5)H(8)NOS(2) (-)·H(2)O, the morpholine ring of the morpholine-4-carbodithio-ate anion has a chair conformation. The potassium cation is coordinated by four S and four O atoms in a bipyramidal reversed geometry. In the crystal, the three components are linked, generating infinite two-dimensional networks that lie parallel to the bc plane. These layers are linked via O-H⋯S hydrogen bonds, forming a three-dimensional structure. ...[more]

PMID: 22904707

Similar Datasets

(6-Meth-oxy-2-oxo-2H-chromen-4-yl)methyl morpholine-4-carbodithio-ate.

Project description:In the title compound, C(16)H(17)NO(4)S(2), the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.070 (1) Å, and the morpholine ring adopts a chair conformation; the bond-angle sum for its N atom is 357.9°. The dihedral angle between the the 2H-chromene ring and the best plane through the morpholine ring is 89.09 (6)°. An intra-molecular C-H⋯S hydrogen bond occurs. In the crystal, C-H⋯O hydrogen bonds generate R(2) (2)(8) rings and π-π inter-actions occur between fused benzene rings of the chromene system [shortest centroid-centroid distance = 3.5487 (8) Å].

| S-EPMC3569253 | biostudies-literature

(2-Oxo-2H-benzo[h]chromen-4-yl)methyl morpholine-4-carbodithio-ate.

Project description:In the title compound, C(19)H(17)NO(3)S(2), the morpholine ring is in a chair conformation. In the coumarin ring system, the dihedral angle between the benzene and pyran rings is 3.9?(1)°. In the crystal, weak C-H?O inter-actions link the mol-ecules into corrugated layers parallel to (102). The crystal packing also exhibits ?-? inter-actions, with distances of 3.644?(1) and 3.677?(1)?Å between the centroids of the benzene rings of neighbouring mol-ecules.

| S-EPMC3344054 | biostudies-other

[(1,3-Benzothia-zol-2-yl)amino-carbon-yl]meth-yl piperidine-1-carbodithio-ate monohydrate.

Project description:In the title compound, C(15)H(17)N(3)OS(3)·H(2)O, the piperidine ring has a chair conformation. The crystal structure is stabilized by weak inter-molecular N-H?O, O-H?N and O-H?O hydrogen-bonding inter-actions.

| S-EPMC3120394 | biostudies-literature

Sodium piperidine-1-carbodithio-ate dihydrate.

Project description:The asymmetric unit of the title compound, Na(+)·C(6)H(10)NS(2) (-)·2H(2)O, is composed of a sodium cation, a piperidine-dithio-carbamate anion which exhibits positional disorder, and two lattice water mol-ecules. The atoms of the piperidine ring are divided over two sites with occupancy factors of 0.554 (6) and 0.446 (6). In the crystal, the sodium cation (coordination number of 6) and the piperidine-dithio-carbamate anion are linked, forming an infinite two-dimensional network extending parallel to (001). O-H⋯S hydrogen bonds, involving the lattice water mol-ecules, also aid in stabilizing the crystal sructure.

| S-EPMC3151976 | biostudies-literature

Benzyl N'-benzhydrylidene-hydrazine-carbodithio-ate.

Project description:In the title mol-ecule, C(21)H(18)N(2)S(2), the C=N-N angle of 117.6 (2)° is significantly smaller than the ideal value of 120° expected for sp(2)-hybridized N atoms. This is probably a consequence of repulsion between the nitro-gen lone pairs and the adjacent N atom, as suggested in Zheng, Qiu, Lin & Liu [Acta Cryst. (2006), E62, o1913-o1914]. The two neighbouring benzene rings form a dihedral angle of 75.95 (3)° with each other, while subtending dihedral angles of 84.18 (3) and 8.44 (2)° with the third ring in the structure.

| S-EPMC2959849 | biostudies-literature

Potassium l-2-nitrimino-1,3-diazepane-4-carboxyl-ate monohydrate.

Project description:The title compound, K(+)·C(6)H(9)N(4)O(4) (-)·H(2)O, crystallizes with the K atoms located on special positions related by pseudocentres of symmetry. Each K atom is coordinated by six O-atom donors. The N and water H atoms are involved in inter- and intra-molecular N-H⋯O, N-H⋯N and O-H⋯O hydrogen bonding. The data indicate inversion twinning.

| S-EPMC2959513 | biostudies-literature

Ammonium piperidine-1-carbodithio-ate.

Project description:The title compound, NH(4) (+)·C(6)H(10)NS(2) (-), is composed of an ammonium cation and a piperidine-1-carbodithio-ate anion which exhibits positional disorder. The atoms of the ring have a structural disorder and they are divided into two sites, with occupancy factors of 0.584 and 0.426.. In the crystal, the cation and anion are linked by N-H?S hydrogen bonds to form an infinite two-dimensional network.

| S-EPMC3099862 | biostudies-other

Morpholin-4-ium morpholine-4-carbo-dithio-ate.

Project description:The title compound, C(4)H(10)NO(+)·C(5)H(8)NOS(2) (-), is built up of a morpholinium cation and a dithio-carbamate anion. In the crystal, two structurally independent formula units are linked via N-H?S hydrogen bonds, forming an inversion dimer, with graph-set motif R(4) (4)(12).

| S-EPMC3213463 | biostudies-literature

[(Pyrrolidin-1-yl)carbothio-ylsulfan-yl]methyl pyrrolidine-1-carbodithio-ate.

Project description:The title compound, C(11)H(18)N(2)S(4), was unexpectedly obtained during studies on the reactivity of the complex tris-(acac-?(2)O,O')gallium(III) (acac is acetyl-acetonate) with C(4)H(8)NCS(2)H in dichloro-methane. The title compound shows disordered two pyrrolidine rings with major and minor occupancies of 0.546?(4) and 0.454?(4). Two (pyrrolidin-1-yl)carbothio-ylsulfanyl units are linked together through a methyl-ene C atom and weak C-H?S inter-actions are found.

| S-EPMC3011744 | biostudies-literature

Caesium propano-ate monohydrate.

Project description:Caesium propano-ate monohydrate, Cs+·C3H5O2 -·H2O, is composed of two symmetry-independent Cs+ cations, which are situated on the special position 4e of space group P 21 m, one symmetry-independent propano-ate mol-ecule in a general position and a pair of water mol-ecules also situated on special position 4e. Two pairs of these symmetry-independent cations, four propano-ate mol-ecules and two pairs of symmetry-independent water mol-ecules form a repeat unit. These units form columns that are directed along the c axis and possess symmetry mm2. There are four such columns passing through each unit cell. Each column is inter-connected to its neighbours by four bifurcated three-centred Ow-H⋯Op (w = water, p = propano-ate) hydrogen bonds of moderate strength. There are also four intra-molecular Ow-H⋯Op hydrogen bonds of moderate strength within each column. One Cs+ cation is coordinated by six oxygen atoms (two water and four carboxyl-ate) in a trigonal-prismatic geometry, while the other Cs+ cation is coordinated by four water and four carboxyl-ate O atoms in a tetra-gonal-prismatic arrangement.

| S-EPMC7405577 | 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