Browse
Submit Data
Databases
API
Help

Dataset Information

8 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Zhang BX

PROVIDER: S-EPMC2959849 | biostudies-other | 2008

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Zhang Bing-Xiang BX

Acta crystallographica. Section E, Structure reports online 20081129 Pt 12

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 ...[more]

PMID: 21581442

Similar Datasets

Potassium morpholine-4-carbodithio-ate monohydrate.

Project description: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.

| S-EPMC3414100 | 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

Crystal structure of benzyl (E)-2-(3,4-di-meth-oxy-benzyl-idene)hydrazine-1-carbodi-thio-ate.

Project description:The title compound, C17H18N2O2S2, synthesized via a condensation reaction between S-benzyl di-thio-carbazate and 3,4-di-meth-oxy-benzaldehyde, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. Both mol-ecules have an L-shape but differ in the orientation of the benzyl ring with respect to the 3,4-di-meth-oxy-benzyl-idine ring, this dihedral angle is 65.59?(8)° in mol-ecule A and 73.10?(8)° in mol-ecule B. In the crystal, the A and B mol-ecules are linked via pairs of N-H?S hydrogen bonds, forming dimers with an R 2 (2)(8) ring motif. The dimers are linked via pairs of C-H?O hydrogen bonds, giving inversion dimers of dimers. These units are linked by C-H?? inter-actions, forming ribbons propagating in the [100] direction.

| S-EPMC4384544 | biostudies-literature

Methyl 2-{2-[(E)-(2-hy-droxy-3-meth-oxy-benzyl-idene)amino]-ethyl-amino}-cyclo-pentene-1-carbodithio-ate.

Project description:In the title Schiff base compound, C(17)H(22)N(2)O(2)S(2), which adopts an E configuration with respect to the imine C=N double bond, the C=N and N-C bond distances are 1.2789?(16) and 1.4546?(16)?Å, respectively. In the mol-ecule there are intra-molecular O-H?N and N-H?S hydrogen bonds, and the CH=N-C substituent is almost coplanar with the benzene ring [C-N-C-C torsion angle = -178.80?(11)°]. The crystal packing is stabilized by inter-molecular C-H?O and C-H?? inter-actions involving the aromatic ring.

| S-EPMC3051642 | 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

[(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

(E)-1-Benzyl-idene-2,2-diphenyl-hydrazine.

Project description:The asymmetric unit of the title compound, C(19)H(16)N(2), contains two independent mol-ecules, both of which show an E configuration with respect to the C=N bond. The dihedral angles between the phenyl rings bonded to the hydrazine group are 81.00?(10) and 88.34?(8)° in the two mol-ecules. Inter-molecular C-H?? inter-actions are observed in the crystal structure.

| S-EPMC3275191 | biostudies-literature

1,2-Bis(2-chloro-benzyl-idene)hydrazine.

Project description:The title Schiff base compound, C(14)H(10)Cl(2)N(2), crystallizes with one half-mol-ecule in the asymmetric unit. The mid-point of the N-N bond [1.418 (3) Å] lies on an inversion centre. The mol-ecular skeleton is approximately planar, the largest deviation from the mean plane being 0.143 (4) Å for the N-bonded C atom. The crystal packing exhibits no classical inter-molecular hydrogen bonds.

| S-EPMC2914996 | biostudies-literature

(5,7-Dimethyl-2-oxo-2H-chromen-4-yl)methyl pyrrolidine-1-carbodithio-ate.

Project description:In the title compound, C(17)H(19)NO(2)S(2), the 2H-chromene ring system is almost planar, with a maximum deviation of 0.044?(2)?Å, and the pyrrolidine ring adopts an envelope conformation. The dihedral angle between the 2H-chromene system and the planar part of the pyrrolidine ring is 83.65?(8)°. A weak intra-molecular C-H?S hydrogen bond occurs. The crystal structure features C-H?O hydrogen bonds and ?-? inter-actions, with a centroid-centroid distance of 3.5728?(16)?Å.

| S-EPMC3379197 | biostudies-literature

(3-Oxo-3H-benzo[f]chromen-1-yl)methyl piperidine-1-carbodithio-ate.

Project description:In the title compound, C(20)H(19)N O(2)S(2),the 3Hbenzo-chromene ring system is nearly planar, with a maximum deviation of 0.036?(2)?Å, and the piperidine ring adopts a chair conformation: the bond-angle sum for its N atom is 358.7°. The dihedral angle between the 3H-benzo[f]chromene ring and the piperidine ring is 89.07?(8)°. In the crystal, C-H?O hydrogen bonds lead to [010] C(6) chains and weak aromatic ?-? inter-actions between the fused pyran ring and fused benzene ring of benzochromene [centroid-centroid distance = 3.652?(1)?Å] are also observed.

| S-EPMC3515261 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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