Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(2-Allyl-4-eth-oxy-2H-indazol-5-yl)-4-methyl-benzene-sulfonamide.

ABSTRACT: The indazole ring system of the title compound, C19H21N3O3S, is almost planar (r.m.s. deviation = 0.0192?Å) and forms dihedral angles of 77.99?(15) and 83.9?(3)° with the benzene ring and allyl group, respectively. In the crystal, centrosymmetrically related mol-ecules are connected by pairs of N-H?O hydrogen bonds into dimers, which are further linked by C-H?O hydrogen bonds, forming columns parallel to the b axis.

SUBMITTER: Chicha H

PROVIDER: S-EPMC4011273 | biostudies-literature | 2014 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-(2-Allyl-4-eth-oxy-2H-indazol-5-yl)-4-methyl-benzene-sulfonamide.

Chicha Hakima H Rakib El Mostapha el M Bouissane Latifa L Viale Maurizio M Saadi Mohamed M El Ammari Lahcen L

Acta crystallographica. Section E, Structure reports online 20140430 Pt 5

The indazole ring system of the title compound, C19H21N3O3S, is almost planar (r.m.s. deviation = 0.0192 Å) and forms dihedral angles of 77.99 (15) and 83.9 (3)° with the benzene ring and allyl group, respectively. In the crystal, centrosymmetrically related mol-ecules are connected by pairs of N-H⋯O hydrogen bonds into dimers, which are further linked by C-H⋯O hydrogen bonds, forming columns parallel to the b axis. ...[more]

PMID: 24860413

Similar Datasets

N-(1-Allyl-3-chloro-4-eth-oxy-1H-indazol-5-yl)-4-methyl-benzene-sulfonamide.

Project description:In the title compound, C19H20ClN3O3S, the benzene ring is inclined to the indazole ring system by 51.23?(8)°. In the crystal, mol-ecules are linked by pairs of N-H?O hydrogen bonds, forming inversion dimers which stack in columns parallel to [011]. The atoms in the allyl group are disordered over two sets of sites with an occupancy ratio of 0.624?(8):0.376?(8).

| S-EPMC4051038 | biostudies-literature

N-(7-Eth-oxy-1H-indazol-4-yl)-4-methyl-benzene-sulfonamide.

Project description:The mol-ecule of the title heterocyclic compound, C(16)H(17)N(3)O(3)S, is bent at the S atom with an C-SO(2)-NH-C torsion angle of 80.17?(8)°. The phenyl substituent at the S atom is rotated out of the plane of the 1H-indazole ring [inter-planar angle = 46.24?(8)°]. In the crystal, inter-molecular N-H?N and N-H?O hydrogen bonds build up a ribbon developing parallel to the b-axis direction. C-H?O hydrogen bonds link these ribbons, forming a layer parallel to the bc plane.

| S-EPMC3120551 | biostudies-literature

N-(3-Chloro-4-eth-oxy-1-methyl-1H-indazol-5-yl)-4-meth-oxy-benzene-sulfonamide.

Project description:The indazole ring system of the title compound, C17H18ClN3O4S, is almost planar (r.m.s. deviation = 0.0113?Å) and forms dihedral angles of 32.22?(8) and 57.5?(3)° with the benzene ring and the mean plane through the 4-eth-oxy group, respectively. In the crystal, mol-ecules are connected by pairs of N-H?O hydrogen bonds into inversion dimers, which are further linked by ?-? inter-actions between the diazole rings [inter-centroid distance = 3.4946?(11)?Å], forming chains parallel to [101].

| S-EPMC4051022 | biostudies-literature

N-[7-Eth-oxy-1-(prop-2-en-1-yl)-1H-indazol-4-yl]-4-methyl-benzene-sulfonamide.

Project description:In the title compound, C(19)H(21)N(3)O(3)S, the C-SO(2)-NH-C torsion angle is 103.72 (11)°. The almost planar indazole ring [r.m.s. deviation = 0.0202 (14) Å] is twisted away from the methyl-benzene ring by 76.87 (7)°. The vinyl group is disordered over two orientations with site occupancies of 0.622 (10) and 0.378 (10). The S atom has a distorted tetra-hedral geometry [maximum deviation: O-S-O = 119.18 (11)°]. An intra-molecular C-H⋯O hydrogen bond occurs. In the crystal, two mol-ecules are linked about a center of inversion by pairs of N-H⋯O hydrogen bonds, generating a dimer. C-H⋯π inter-actions are also observed.

| S-EPMC3151999 | biostudies-literature

N-(1-Allyl-1H-indazol-5-yl)-4-meth-oxy-benzene-sulfonamide hemihydrate.

Project description:In the title compound, C17H17N3O3 (.)0.5H2O, the indazole system makes a dihedral angle of 46.19?(8)° with the plane through the benzene ring and is nearly perpendicular to the allyl group, as indicated by the dihedral angle of 81.2?(3)°. In the crystal, the water mol-ecule, disordered over two sites related by an inversion center, forms O-H?N bridges between indazole N atoms of two sulfonamide mol-ecules. It is also connected via N-H?O inter-action to the third sulfonamide mol-ecule; however, due to the water mol-ecule disorder, only every second mol-ecule of sulfonamide participates in this inter-action. This missing inter-action results in a slight disorder of the sulfonamide S,O and N atoms which are split over two sites with half occupancy. With the help of C-H?O hydrogen bonds, the mol-ecules are further connected into a three-dimensional network.

| S-EPMC3790445 | biostudies-literature

N-[7-Eth-oxy-2-(prop-2-en-1-yl)-2H-indazol-6-yl]-4-methyl-benzene-sulfonamide.

Project description:In the title compound, C(19)H(21)N(3)O(3)S, the C-SO(2)-NH-C torsion angle is 66.20?(9)°. The dihedral angle between the benzene ring and the essentially planar indazole ring system [r.m.s. deviation = 0.0361?(1)?Å] is 72.97?(6)°. The S atom has a distorted tetra-hedral geometry [maximum deviation = O-S-O = 119.30?(6)°]. The crystal structure features inversion-related dimers linked by pairs of N-H?O hydrogen bonds. In addition, weak C-H?O inter-actions may stabilize the crystal packing.

| S-EPMC3238876 | biostudies-other

4-Meth-oxy-N-(1-methyl-1H-indazol-5-yl)benzene-sulfonamide.

Project description:The indazole ring system [maximum deviation = 0.013?(2)?Å] of the title compound, C15H15N3O3S, makes a dihedral angle of 50.11?(7)° with the benzene ring. In the crystal, cohesion is provided by C-H?O and N-H?N hydrogen bonds, which link the molecules into chains propagating along the b-axis direction.

| S-EPMC3884501 | biostudies-literature

N-(3-Eth-oxy-phen-yl)-4-methyl-benzene-sulfonamide.

Project description:In the title compound, C(15)H(17)NO(3)S, the two aromatic rings make a dihedral angle of 69.42?(9)° with each other and the bridging C-N-S-C torsion angle is 65.76?(16)°. Weak intra-molecular C-H?O inter-actions may affect the mol-ecular conformation. Two neighbouring mol-ecules generate a hydrogen-bonded dimer about a center of inversion through a pair of inter-molecular N-H?O inter-actions, forming an R(2) (2)(8) ring motif. Furthermore, two inter-molecular C-H?? inter-actions contribute to the stability of the crystal packing.

| S-EPMC3006737 | biostudies-literature

N-(2-Allyl-4-chloro-2H-indazol-5-yl)-4-meth-oxy-benzene-sulfonamide hemi-hydrate.

Project description:The fused five- and six-membered rings in the title compound, C17H16ClN3O3S·0.5H2O, are practically coplanar, with the maximum deviation from the mean plane being 0.057?(3)?Å for the C atom bound to the exocyclic N atom. The indazole system makes a dihedral angle of 66.18?(12)° with the plane through the benzene ring, and it is nearly perpendicular to the allyl group, as indicated by the N-N-C-C torsion angle of 79.2?(3)°. In the crystal, the water mol-ecule, lying on a twofold axis, forms O-H?N and accepts N-H?O hydrogen bonds. Additional C-H?O hydrogen bonds contribute to the formation of a chain along the b-axis direction.

| S-EPMC3793831 | biostudies-other

Ethyl 3-[7-eth-oxy-6-(4-meth-oxy-benzene-sulfonamido)-2H-indazol-2-yl]propano-ate.

Project description:In the title compound, C(21)H(25)N(3)O(6)S, the dihedral angle between the meth-oxy-benzene and indazole rings is 74.96 (5)°. The crystal packing is stabilized by an N-H⋯O hydrogen bond into a two-dimensional network. In addition, C-H⋯π inter-actions and a π-π contact, with a centroid-centroid distance of 3.5333 (6) Å, are observed. The crystal packing is stabilized by N-H⋯O and C-H⋯O hydrogen bonds.

| S-EPMC3343913 | 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