Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,4-Bis(methyl-sulfan-yl)naphthalene.

ABSTRACT: The mol-ecule of the title compound, C(12)H(12)S(2), is close to planar, with the methyl C atoms deviating by 0.019?(1) and 0.221?(2)?Å from the naphthalene mean plane. In the crystal structure, the shortest S?S contact of 3.6864?(9)?Å is longer than the van der Waals contact distance.

SUBMITTER: Celik I

PROVIDER: S-EPMC2969593 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,4-Bis(methyl-sulfan-yl)naphthalene.

Celik Ismail I Akkurt Mehmet M Senocak Ayşegül A Cakmak Osman O Torre-Fernández Laura L García-Granda Santiago S

Acta crystallographica. Section E, Structure reports online 20090523 Pt 6

The mol-ecule of the title compound, C(12)H(12)S(2), is close to planar, with the methyl C atoms deviating by 0.019 (1) and 0.221 (2) Å from the naphthalene mean plane. In the crystal structure, the shortest S⋯S contact of 3.6864 (9) Å is longer than the van der Waals contact distance. ...[more]

PMID: 21583224

Similar Datasets

1,4-Bis(chloro-meth-yl)naphthalene.

Project description:In the title mol-ecule, C(12)H(10)Cl(2), the torsion angles C(r)-C(r)-C(m)-Cl around the C(m)-C(r) bonds have values of -104.1 (4) and -101.9 (4)°, where C(m) is a methylene and C(r) is a ring C atom. The mol-ecules related by translation along the b axis are arranged into stacks by π-π inter-actions between unsubstituted and substituted aromatic rings of the naphthalene ring system (centroid-centroid distance = 3.940 Å).

| S-EPMC2962209 | biostudies-literature

1,2-Bis[bis-(methyl-sulfan-yl)methyl-ene]hydrazine.

Project description:The title compound, C(6)H(12)N(2)S(4), was obtained as a by-product (8%) during the reaction of the electrogenerated cyano-methyl anion with phenyl-amine, carbon disulfide and methyl iodide. The mol-ecule, with the exception of 8 H atoms, lies on a crystallographic mirror plane and is arranged around an inversion centre located at the mid-point of the N-N bond.

| S-EPMC2961342 | biostudies-literature

Bis[(methyl-sulfan-yl)carbon-yl]disulfane.

Project description:The title compound, C(4)H(6)O(2)S(4), was prepared by repeating, with subtle improvements, a multi-step route originally described by Mott & Barany [J. Chem. Soc. Perkin Trans. 1 (1984) ▶, pp. 2615-2621]. The title compound was obtained for the first time as a crystalline material. The two [(methyl-sulfan-yl)carbon-yl]sulfenyl moieties are essentially perpendic-ular to each other, each approximately planar (r.m.s. deviations of 0.02 and 0.01 Å) and with a C-S-S-C torsion angle = 90.99 (6)°, which compares well with the theoretical value of 90°.

| S-EPMC3393915 | biostudies-literature

4,6-Bis[4-(benzyl-sulfan-yl)styr-yl]-2-(methyl-sulfan-yl)pyrimidine.

Project description:The title compound, C(35)H(30)N(2)S(3), has been synthesized by a solvent-free reaction. The mol-ecule exhibits an E,E configuration, the benzene rings and pyrimidine rings being located on the opposite sides of the C=C bonds. The centroid-centroid separation of 3.5808 (17) Å indicates the existence of π-π stacking between nearly parallel pyrimidine and benzene rings of adjacent mol-ecules.

| S-EPMC2915314 | biostudies-literature

1,4-Bis-(4-meth-oxy-phen-yl)naphthalene.

Project description:The title naphthalene derivative, C24H20O2, features 4-methy-oxy-substituted benzene rings in the 1 and 4 positions of the naphthalene ring system. There are two crystallographically independent mol-ecules (A and B) in asymmetric unit. The independent mol-ecules have very similar conformations in which the naphthalene ring systems are only slightly bent, exhibiting dihedral angles between the constituent benzene rings of 3.76 (15) and 3.39 (15)° for A and B, respectively. The pendent 4-methyoxybenzene rings are splayed out of the plane through the naphthalene ring system to which they are connected [range of dihedral angles = 59.63 (13) to 67.09 (13)°]. In the crystal, the mol-ecular packing is consolidated by inter-molecular C-H⋯π inter-actions, leading to supra-molecular chains along the b axis. The chains assemble without directional inter-actions between them.

| S-EPMC9462186 | biostudies-literature

N,N'-Bis(4-methyl-phen-yl)naphthalene-1,4-dicarboxamide N,N-dimethyl-acetamide disolvate.

Project description:The title compound, C(26)H(22)N(2)O(2)·2C(4)H(9)NO, crystallizes in an anti C=O orientation. The two amide groups are approximately perpendicular to the naphthalene ring system [dihedral angles = 88.89 (1) and 89.08 (1)°]. Each of the dimethyl-acetamide solvent mol-ecules are disordered over two positions, with occupancies of 0.655 (12):0.345 (12) and 0.531 (13):0.469 (13). The crystal packing is stabilized by N-H⋯O and C-H⋯O hydrogen bonds.

| S-EPMC2960113 | biostudies-literature

1,4-Bis{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfan-yl}butane.

Project description:In the centrosymmetric title compound, C(18)H(16)N(6)O(2)S(2), the 1,3,4-oxadiazole and the attached pyridinyl ring are twisted by 5.3?(3)°.

| S-EPMC3052088 | biostudies-literature

N'-[Bis(benzyl-sulfan-yl)methyl-idene]benzohydrazide.

Project description:In the title hydrazonodithio-ate, C(21)H(19)N(3)OS(2), the amide group is twisted out of the plane through the S(2)C=N atoms: the C-N-N-C torsion angle is 139.71?(13)°. The pyridine ring forms dihedral angles of 52.96?(8) and 86.46?(8)° with the phenyl rings, and the latter are approximately orthogonal [dihedral angle = 76.42?(9)°]. Supra-molecular chains sustained by N-H?O hydrogen bonds and propagated by glide symmetry along the c axis are found in the crystal structure. The chains are consolidated into a three-dimensional architecture by C-H?O and C-H?N inter-actions.

| S-EPMC3379243 | biostudies-literature

1,4-Bis[(5-phenyl-1,3,4-thia-diazol-2-yl)sulfan-yl]butane.

Project description:The asymmetric unit of the title compound, C(20)H(18)N(4)S(4), contains one half-mol-ecule situated on a twofold rotation axis, in which the thia-diazole and phenyl rings are twisted by 7.2?(3)°. In the crystal, weak inter-molecular C-H?? inter-actions link the mol-ecules into layers parallel to (103).

| S-EPMC3052050 | biostudies-literature

1,4-Bis[4-(tert-butyl-sulfan-yl)phen-yl]buta-1,3-diyne.

Project description:The asymmetric unit of the title compound, C(24)H(26)S(2), consits of one half-mol-ecule, which is located on a center of inversion. The two benzene rings are exactly coplanar while the tert-butyl group is oriented nearly perpendicular to the ring plane [C-S-C-C = -81.14 (11)°].

| S-EPMC3344644 | 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