Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(2,6-Diisopropyl-phen-yl)(2-thienylmethyl-ene)amine.

ABSTRACT: The title compound, C(17)H(21)NS, was prepared by the condensation of thio-phene-2-carbaldehyde with 2,6-diiso-propyl-aniline. It crystallizes with two mol-ecules in the asymmetric unit. The mol-ecules are inter-connected via a C-H?N hydrogen bond. The dihedral angles between the thio-phene and phenyl rings are 81.7?(7) and 85.5?(7)°.

SUBMITTER: Imhof W

PROVIDER: S-EPMC2968562 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(2,6-Diisopropyl-phen-yl)(2-thienylmethyl-ene)amine.

Imhof Wolfgang W

Acta crystallographica. Section E, Structure reports online 20090225 Pt 3

The title compound, C(17)H(21)NS, was prepared by the condensation of thio-phene-2-carbaldehyde with 2,6-diiso-propyl-aniline. It crystallizes with two mol-ecules in the asymmetric unit. The mol-ecules are inter-connected via a C-H⋯N hydrogen bond. The dihedral angles between the thio-phene and phenyl rings are 81.7 (7) and 85.5 (7)°. ...[more]

PMID: 21582248

Similar Datasets

N-(2,6-Diisopropyl-phen-yl)formamide.

Project description:The title compound, C(13)H(19)NO, exhibits a non-planar structure in which the 2,6-diisopropyl-phenyl ring is tilted at a dihedral angle of 77.4?(1)° with respect to the formamide group. This is the largest dihedral angle known among structurally characterized formamides. The mol-ecules are linked via N-H?O hydrogen bonds, forming infinite chains which run along the b-axis directions.

| S-EPMC2960669 | biostudies-literature

N-(2,6-Diisopropyl-phen-yl)-N-{3-[(2,6-diisopropyl-phen-yl)imino]-butan-2-yl}aza-nide trichloridostannate(II).

Project description:In the title compound, (C(28)H(43)N(2))[SnCl(3)], two pairs of molecular species are present in the asymmetric unit. The employed ?-diimine opens up, forming a highly asymmetric ammonium that has its protons at one of the N atoms [N-C= 1.264?(4) and 1.516?(4)?Å]. One of the C=N double bonds was oxidized to C-N, which is consistent with the bond length of 1.516?(4)?Å. Meanwhile Sn(IV) was reduced to Sn(II). The (SnCl)(3) (-) anion is trigonal-pyramidal. In the crystal, mol-ecules are linked by C-H?Cl, N-H?Cl, N-H?N and C-H?N bonds. The crystal studied was twinned by pseudo-merohedry.

| S-EPMC3379065 | biostudies-literature

N-(2,6-Diisopropyl-phen-yl)thio-amide.

Project description:In the crystal structure of the title compound, C(13)H(19)NS {systematic name: N-[2,6-bis-(propan-2-yl)phen-yl]carbothio-amide}, mol-ecules assemble via N-H?S=C hydrogen bonds into helical chains along the b axis. The thio-amide moiety, with a syn disposition of the N- and C-bound H atoms, is twisted out of the plane of the benzene ring to which it is connected, forming a dihedral angle angle of 77.60?(14)°.

| S-EPMC3435636 | biostudies-literature

(S)-(+)-1-(1-Naphth-yl)-1-(2-thienylmethyl-ene)ethyl-amine.

Project description:The title chiral imine, C(17)H(15)NS, has been obtained via a direct synthesis route. The imine group displays the common E configuration, and is almost coplanar with the thio-phene heterocycle; the dihedral angle between the C=N-C group and the thio-phene ring is 5.1?(8)°. In contrast, the naphthyl group makes an angle of 83.79?(13)° with the thio-phene ring. The observed solid-state mol-ecular conformation is suitable for the use of this mol-ecule as an N,S-bidentate Schiff base ligand. The mol-ecular packing features double C-H?? inter-actions between naphthyl groups of neighboring mol-ecules, which form chains in the [100] direction. The crystal structure is further stabilized by a short C-H?? contact involving the methyl group and one ring of a naphthyl group. The resulting two-dimensional network is completed by a weak inter-molecular C-H(imine)??(thio-phene) inter-action.

| S-EPMC2969493 | biostudies-literature

N-(2-Thienylmethyl-ene)-2-(2-{[2-(2-thienylmethyl-eneamino)phen-yl]sulfan-yl}ethyl-sulfan-yl)aniline.

Project description:The asymmetric unit of the title compound, C(24)H(20)N(2)S(4), contains one half-mol-ecule: a crystallographic centre of inversion is located at the mid-point of the two central C atoms. The thio-phene ring is oriented at a dihedral angle of 60.64?(3)° with respect to the benzene ring. In the crystal structure, ?-? contacts between thio-phene rings [centroid-centroid distance = 3.581?(1)?Å] may stabilize the structure. A weak C-H?? inter-action is also present.

| S-EPMC2969378 | biostudies-literature

1,3-Bis(2,6-diisopropyl-phen-yl)imidazolidin-2-yl-idene.

Project description:The title compound, C(27)H(38)N(2), is the first reported free imidazolidin-2-yl-idene carbene with 2,6-diisopropyl-phenyl groups in the 1,3-positions. The five-membered ring adopts a twisted conformation and the dihedral angle between the aromatic rings is 48.81 (6)°. Both isopropyl groups attached to one of the benzene rings are disordered over two sets of sites in 0.74 (2):0.26 (2) and 0.599 (8):0.401 (8) ratios.

| S-EPMC3007848 | biostudies-literature

N-(2,6-Diisopropyl-phen-yl)formamide toluene 0.33-solvate.

Project description:The crystal packing of the title compound, C(13)H(19)NO·0.33C(7)H(8), shows a channel at [001], which contains grossly disordered toluene solvent mol-ecules. The angle between the benzene ring and the mean plane of the formamide group is 71.1?(1)°. The amide groups of neighbouring mol-ecules are connected by N-H?O hydrogen bonds, forming 2(1) helical chains propagating along [001]. Mol-ecules are also connected by weak inter-molecular C-H?O hydrogen bonds, forming 6(1) helices.

| S-EPMC3344661 | biostudies-literature

N-(2-Thienylmethyl-ene)naphthalen-1-amine.

Project description:In the title compound, C(15)H(11)NS, the dihedral angle between the thio-phene and 1-naphthyl rings is 31.42?(11)°. The mol-ecule adopts a trans configuration about the central C=N bond. In the crystal, the mol-ecules are connected via weak C-H?? inter-actions.

| S-EPMC2971344 | biostudies-literature

4-Chloro-2-[(2,6-diisopropyl-phen-yl)imino-meth-yl]phenol.

Project description:The asymmetric unit of the title compound, C(19)H(22)ClNO, contains two independent mol-ecules in which the dihedral angles between the aromatic rings are 76.45?(9) and 74.69?(9)°. An intra-molecular O-H?N hydrogen bond occurs in each mol-ecule. The crystal structure features weak C-H?? inter-actions.

| S-EPMC3379312 | biostudies-literature

2-[(2,6-Diisopropyl-phen-yl)imino-meth-yl]-4-iodo-phenol.

Project description:The asymmetric unit of title compound, C(19)H(22)INO, contains two independent mol-ecules. Classical intra-molecular O-H?N hydrogen bonds stabilize the mol-ecular structures. The crystal structure is stabilized by weak inter-molecular C-H?? and ?-? [centroid-centroid = 3.8622?(18)?Å] inter-actions. In both mol-ecules, the aromatic rings are nearly perpendicular to each other [dihedral angles = 84.26?(17) and 86.69?(15)°].

| S-EPMC3379471 | 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