Browse
Submit Data
Databases
API
Help

Dataset Information

28 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Methyl 5-chloro-2-[N-(3-eth-oxy-carbonyl-prop-yl)-4-methyl-benzene-sulfonamido]-benzoate.

ABSTRACT: In the title compound, C(21)H(24)ClNO(6)S, the benzene rings are oriented at a dihedral angles of 41.6 (2)°. In the crystal structure, weak inter-molecular C-H⋯O inter-actions link the mol-ecules.

SUBMITTER: Wang B

PROVIDER: S-EPMC3006966 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Methyl 5-chloro-2-(4-methyl-benzene-sulfonamido)-benzoate.

Project description:In the title compound, C(15)H(14)ClNO(4)S, the benzene rings are oriented at a dihedral angle of 85.42?(1)°. An intra-molecular N-H?O hydrogen bond results in the formation of a five-membered ring and an intramolecular C-H?O inter-action also occurs.

| S-EPMC2979427 | biostudies-literature

Methyl 2-bromo-3-(4-chloro-benzene-sulfonamido)-benzoate.

Project description:In the crystal structure of the title compound, C(14)H(11)BrClNO(4)S, the mol-ecules form inversion dimers with R(2) (2)(8) motifs through pairs of N-H⋯O hydrogen bonds. The benzene rings are not coplanar and subtend a dihedral angle of 66.27 (8)°. The carbomethoxy group makes a dihedral angle of 75.1 (1)° with the ring to which it is attached.

| S-EPMC3569830 | biostudies-literature

Methyl 4-(3-chloro-prop-oxy)benzoate.

Project description:In the crystal structure of the title compound, C(11)H(13)ClO(3), inter-molecular C-H?O hydrogen bonds link the mol-ecules into zigzag chains along the c axis.

| S-EPMC3089323 | biostudies-literature

Methyl 2-benzene-sulfonamido-benzoate.

Project description:In the title compound, C(14)H(13)NO(4)S, the conformation of the C-S-N-C segment is gauche and the two benzene rings are tilted relative to each other by 85.62?(8)°. An intra-molecular N-H?O hydrogen bond generates an S(6) ring and an C-H?O inter-action also occurs. In the crystal, inter-molecular C-H?O hydrogen bonds are observed, which link the mol-ecules into [100] C(7) chains.

| S-EPMC3007297 | biostudies-literature

Methyl 4-(3-chloro-prop-oxy)-3-methoxy-benzoate.

Project description:In the title compound, C(12)H(15)ClO(4), the molecules are linked by C-H?O interactions.

| S-EPMC2968407 | biostudies-literature

Methyl 4-(3-chloro-prop-oxy)-5-meth-oxy-2-nitro-benzoate.

Project description:The asymmetric unit of the title compound, C(12)H(14)ClNO(6), contains two crystallographically independent mol-ecules, in which the benzene rings are oriented at a dihedral angle of 9.12 (3)°. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC2969097 | biostudies-literature

Cyano-methyl 4-(4-methyl-benzene-sulfonamido)-benzoate.

Project description:The title mol-ecule, C(16)H(14)N(2)O(4)S, adopts an L-shaped conformation, with the central C-S-N-C torsion angle being -69.1 (3)°. The two benzene rings form a dihedral angle of 89.94 (15)°. The mol-ecular conformation may be influenced by a weak intra-molecular C-H⋯O hydrogen bond which generates an S(6) ring motif. In the crystal, mol-ecules are linked by N-H⋯O and weak C-H⋯O hydrogen bonds, forming chains propagating along the b axis. Weak C-H⋯N hydrogen bonds connect the chains into a two-dimensional network parallel to (011). The crystal studied was an inversion twin, the ratio of components being 0.7 (1):0.3 (1).

| S-EPMC3344598 | biostudies-literature

N-[3-(Benzene-sulfonamido)-prop-yl]benzene-sulfonamide.

Project description:In the title compound, C(15)H(18)N(2)O(4)S(2), the dihedral angle between the aromatic rings is 71.8?(2)°. The conformation of the central N-C-C-C-N fragment is gauche-gauche [torsion angles = 72.5?(5) and 65.7?(5)°]. Both N atoms adopt pyramidal geometries. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, generating (001) sheets, and weak C-H?O inter-actions consolidate the packing.

| S-EPMC3151767 | 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

Propyl 2-(4-methyl-benzene-sulfonamido)-benzoate.

Project description:In the title compound, C(17)H(19)NO(4)S, the terminal ethyl group is disordered over two sets of sites, with refined site occupancies of 0.536 (7) and 0.464 (7). The dihedral angle between the two aromatic rings is 81.92 (12)°. The mol-ecular conformation is stabilized by intra-molecular N-H⋯O and C-H⋯O hydrogen bonds, which generate S(6) motifs. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming chains along the b axis.

| S-EPMC3344515 | 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