Browse
Submit Data
Databases
API
Help

Dataset Information

29 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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)°.

SUBMITTER: Omondi B

PROVIDER: S-EPMC3435636 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Omondi Bernard B Levendis Demetrius C DC

Acta crystallographica. Section E, Structure reports online 20120801 Pt 9

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)°. ...[more]

PMID: 22969509

Similar Datasets

Diafenthiuron: 1-tert-butyl-3-(2,6-diisopropyl-4-phen-oxy-phen-yl)thio-urea.

Project description:The title compound, C23H32N2OS, is a thio-urea-based insecticide. The dihedral angle between the phenyl ring and the diisopropyl benzene ring plane is 73.18?(6)°, while that between the plane of the thio-urea group and the diisopropyl benzene ring is 86.00?(5)°. Disorder was modelled for the S atom and the two methyl C atoms of the isopropyl group over two sets of sites with an occupancy ratio of 0.742?(4):0.258?(4). In the crystal, N-H?S hydrogen bonds link adjacent mol-ecules, forming R 2 (2)(8) inversion dimers that pack into chains along the b-axis direction.

| S-EPMC4120544 | biostudies-literature

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 α-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

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

Project description: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)°.

| S-EPMC2968562 | 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

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

(E)-N-[2-(Benzyl-iminometh-yl)phen-yl]-2,6-diisopropyl-aniline.

Project description:The mol-ecular conformation of the title compound, C(26)H(30)N(2), is reinforced by an intra-molecular N-H⋯N hydrogen bond, resulting in an almost planar [mean deviation of 0.023 (2) Å] S(6) ring. The dihedral angles between the central benzene ring and the terminal unsubstituted and substituted aromatic rings are 64.45 (9) and 89.40 (8)°, respectively.

| S-EPMC2970998 | biostudies-literature

(Z)-4-Bromo-N-{(Z)-3-[(4-bromo-2,6-diisopropyl-phen-yl)imino]-butan-2-yl-idene}-2,6-diisopropyl-aniline.

Project description:The title compound, C(28)H(38)Br(2)N(2), is centrosymmetric with the mid-point of the central C-C bond of the butyl group located on an inversion center. The terminal benzene ring is approximately perpendicular to the central 1,4-diaza-butadiene mean plane [dihedral angle = 78.23?(3)°]. No hydrogen bonding or aromatic stacking is observed in the crystal structure.

| S-EPMC3569751 | 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