Browse
Submit Data
Databases
API
Help

Dataset Information

13 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Acetyl-3-methyl-pyrazine phenyl-sulfonyl-hydrazone.

ABSTRACT: In the title compound, C(13)H(14)N(4)O(2)S, the dihedral angle between the aromatic rings is 55.42?(14)°. In the crystal structure, an N-H?O hydrogen bond leads to chains of mol-ecules along [001].

SUBMITTER: Tai XS

PROVIDER: S-EPMC2961218 | biostudies-other | 2008

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2-Acetyl-3-methyl-pyrazine phenyl-sulfonyl-hydrazone.

Tai Xi-Shi XS Feng Yi-Min YM Kong Fan-Yuan FY

Acta crystallographica. Section E, Structure reports online 20080410 Pt 5

In the title compound, C(13)H(14)N(4)O(2)S, the dihedral angle between the aromatic rings is 55.42 (14)°. In the crystal structure, an N-H⋯O hydrogen bond leads to chains of mol-ecules along [001]. ...[more]

PMID: 21202316

Similar Datasets

(E)-2-Acetyl-pyrazine 4-nitro-phenyl-hydrazone.

Project description:In the title compound, C(12)H(11)N(5)O(2), the mol-ecule adopts an E configuration, with the benzene and pyrazine rings located on opposite sides of the N=C double bond. The face-to-face separations of 3.413?(14) and 3.430?(8)?Å, respectively between parallel benzene rings and between pyrazine rings indicate the existence of ?-? stacking between adjacent mol-ecules. The crystal structure also contains N-H?N and C-H?O hydrogen bonding.

| S-EPMC2961878 | biostudies-other

4-(Diethyl-amino)salicylaldehyde phenyl-sulfonyl-hydrazone.

Project description:In the title compound, C(17)H(21)N(3)O(3)S, the dihedral angle between the aromatic ring planes is 84.2?(2)°. The pendant ethyl groups of the -N(C(2)H(5))(2) group are disordered over two sets of positions in a 0.84?(2):0.16?(2) ratio. The mol-ecular conformation is stabilized by an intra-molecular O-H?N hydrogen bond, and inter-molecular N-H?O bonds lead to [010] chains in the crystal structure.

| S-EPMC2961088 | biostudies-other

(2-Methyl-1-phenyl-sulfonyl-1H-indol-3-yl)phenyl-methyl acetate.

Project description:In the title compound, C(24)H(21)NO(4)S, the indole ring system makes dihedral angles of 77.8 (1) and 85.4 (1)°, respectively, with the S- and C-bound phenyl rings. The mol-ecular structure is stabilized by a weak intra-molecular C-H⋯O hydrogen bond. In the crystal, a weak inter-molecular C-H⋯O hydrogen bond and a C-H⋯π inter-action are also observed.

| S-EPMC2970969 | biostudies-literature

2-Acetyl-pyrazine 4-methyl-thio-semi-carbazone.

Project description:The title compound, C(8)H(11)N(5)S, has been prepared by the reaction of 2-acetyl-pyrazine with 4-methyl-3-thio-semi-carbazide. It exists in the thione form and adopts the E configuration. The mol-ecules are connected by the inter-molecular N-H?N and N-H?S inter-actions.

| S-EPMC2915049 | biostudies-literature

1-Methyl-3-phenyl-sulfonyl-2-piperidone.

Project description:The piperidone ring in the title compound, C(12)H(15)NO(3)S, has a slightly distorted half-chair conformation with the methyl, carbonyl and phenyl-sulfonyl ring substituents occupying equatorial, equatorial and axial positions, respectively. Mol-ecules are connected into centrosymmetric dimers via C-H?O inter-actions and these associate into layers via C-H?O-S contacts. Further C-H?O inter-actions involving both the carbonyl and sulfonyl O atoms consolidate the crystal packing by providing connections between the layers.

| S-EPMC2961210 | biostudies-literature

2-Azido-methyl-3-methyl-1-phenyl-sulfonyl-1H-indole.

Project description:In the title compound, C(16)H(14)N(4)O(2)S, the plane of the indole ring is twisted by 70.4?(2)° with respect to the plane of the azidomethyl- substituent. As a result of the electron-withdrawing character of the phenyl-sulfonyl groups, the N-C bond lengths are slightly longer than the anti-cipated value of approximately 1.355?Å for an N atom with a planar configuration. The indole ring is essentially planar, with a maximum deviation of 0.0296?Å. The azide group is almost linear, the N-N-N angle being 171.4?(3)°. The methyl group on the azide-substituted C atom is in a flagpole position. The phenyl ring of the sulfonyl substituent makes a dihedral angle of 87.07?(10)° with the best plane of the indole moiety. The crystal packing is stabilized by inter-molecular C-H?O inter-actions, which link the mol-ecules into infinite chains running parallel to the b axis. The crystal packing is further stabilized by C-H?? inter-actions.

| S-EPMC3200696 | biostudies-literature

2-Chloro-methyl-3-methyl-1-phenyl-sulfonyl-1H-indole.

Project description:In the title compound, C(16)H(14)ClNO(2)S, the phenyl ring makes a dihedral angle of 78.1 (1)° with the indole ring system. The mol-ecular structure is stabilized by weak intra-molecular C-H⋯O inter-actions. The crystal structure exhibits weak inter-molecular C-H⋯O, C-H⋯π and π-π [centroid-centroid distances = 3.620 (1)-3.794 (1) Å] inter-actions.

| S-EPMC2970994 | biostudies-literature

2,2-Dichloro-N-(4-methyl-phenyl-sulfonyl)acetamide.

Project description:The N-H and C=O bonds in the title compound, C(9)H(9)Cl(2)NO(3)S, are trans to each other, similar to what is observed in 2,2,2-trimethyl-N-(phenyl-sulfon-yl)acetamide and 2,2,2-trimethyl-N-(4-methyl-phenyl-sulfon-yl)acetamide. The bond parameters in the title compound are also similar to those in the aforementioned two structures. N-H?O hydrogen bonds connect the mol-ecules into chains running along the a axis.

| S-EPMC2962122 | biostudies-literature

Tetra-O-4-methyl-phenyl-sulfonyl-penta-erythritol.

Project description:In the title mol-ecule (systematic name: methane-tetra-yltetra-methyl-ene tetra-p-toluene-sulfonate), C(33)H(36)O(12)S(4), the central C atom and the S atoms exhibit distorted tetra-hedral configurations. The aromatic rings in opposite arms are nearly parallel to each other, with a dihedral angle of 10.26?(8) or 3.45?(9)°. The mol-ecules are linked into a two-dimensional network parallel to the bc plane by weak C-H?O hydrogen bonds, ?-? [centroid-centroid distance = 3.5806?(12)?Å] and S-O?? [O?centroid = 3.1455?(15)?Å and S-O?centroid = 122.41?(7)°] inter-molecular inter-actions. Intramolecular C-H?O hydrogen bonds are also present.

| S-EPMC2962105 | biostudies-literature

(E)-2-Furyl methyl ketone 2,4-dinitro-phenyl-hydrazone.

Project description:Crystals of the title compound, C(12)H(10)N(4)O(5), were obtained from a condensation reaction of 2,4-dinitro-phenyl-hydrazine and 2-furyl methyl ketone. The mol-ecule displays a nearly planar structure, and the furan ring is slightly twisted by a dihedral angle of 12.62?(6)° with respect to the phenyl-hydrazone plane. The face-to-face separation of 3.287?(7)?Å between parallel benzene rings of adjacent mol-ecules indicates the existence of ?-? stacking between dinitro-phenyl rings in the crystal structure.

| S-EPMC2961490 | 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