Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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].

SUBMITTER: Chicha H

PROVIDER: S-EPMC4051022 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Chicha Hakima H Rakib El Mostapha el M Hannioui Abdellah A Saadi Mohamed M El Ammari Lahcen L

Acta crystallographica. Section E, Structure reports online 20140517 Pt 6

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 π-π inter-actions between the diazole rings [inter-centroid distance = 3.4946 (11) Å], forming chains parallel to [101]. ...[more]

PMID: 24940259

Similar Datasets

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

Project description:In the title compound, C14H12ClN3O3S, the fused five- and six-membered rings are folded slightly along the common edge, forming a dihedral angle of 3.2?(1)°. The mean plane through the indazole system makes a dihedral angle of 30.75?(7)° with the distant benzene ring. In the crystal, N-H?O hydrogen bonds link the mol-ecules, forming a two-dimensional network parallel to (001).

| S-EPMC3884302 | biostudies-literature

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

Crystal structure of N-(3-chloro-1-methyl-1H-indazol-5-yl)-4-meth-oxy-benzene-sulfonamide.

Project description:In the title compound, C15H14ClN3O3S, the dihedral angle between the planes of the indazole ring system (r.m.s. deviation = 0.007?Å) and the benzene ring is 89.05?(7)°. The meth-oxy C atom deviates from its attached ring by 0.196?(3)?Å. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds generate R 2 (2)(8) loops. The dimers are connected into [010] chains by C-H?O inter-actions.

| S-EPMC4186104 | biostudies-literature

N-(1H-Indazol-5-yl)-4-meth-oxy-benzene-sulfonamide.

Project description:In the title compound, C14H13N3O3S, the fused ring system is almost planar, the largest deviation from the mean plane being 0.023?(2)?Å, and makes a dihedral angle of 47.92?(10)° with the benzene ring of the benzene-sulfonamide moiety. In the crystal, mol-ecules are connected through N-H?O hydrogen bonds and weak C-H?O contacts, forming a two-dimensional network which is parallel to (010).

| S-EPMC3884352 | 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

Crystal structure of N-(1-acetyl-3-chloro-1H-indazol-6-yl)-4-meth-oxy-benzene-sulfonamide.

Project description:In the title compound, C16H14ClN3O4S, the six-membered ring of the indazole group is connected to a sulfonamide group. The indazole system is essentially planar, with the greatest deviation from the mean plane being 0.007?(2)?Å. The dihedral angle between the two six-membered rings is 74.99?(9)°. The crystal structure exhibits inversion dimers in which mol-ecules are linked by pairs of N-H?O and C-H?O hydrogen bonds.

| S-EPMC4719877 | 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-(2-Allyl-4-eth-oxy-2H-indazol-5-yl)-4-methyl-benzene-sulfonamide.

Project description: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.

| S-EPMC4011273 | 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