Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Ethyl 2-[4-(1,3-benzothiazol-2-yl)-anilino]acetate.

ABSTRACT: In the title compound, C(17)H(16)N(2)O(2)S, the dihedral angle between the benzothia-zole ring system and the benzene ring is 1.20?(2)°. The substituted amino substituent is in an extended conformation with an N-C-C-O torsion angle of 179.4?(3)°. In the crystal structure, pairs of mol-ecules are connected by inter-molecular N-H?O and weak C-H?O hydrogen bonds, forming centrosymmetric dimers.

SUBMITTER: Zhang Y

PROVIDER: S-EPMC3007372 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Ethyl 2-[4-(1,3-benzothiazol-2-yl)-anilino]acetate.

Zhang Yong Y Qu Yuan Y Zhao Bi-Lin BL

Acta crystallographica. Section E, Structure reports online 20100731 Pt 8

In the title compound, C(17)H(16)N(2)O(2)S, the dihedral angle between the benzothia-zole ring system and the benzene ring is 1.20 (2)°. The substituted amino substituent is in an extended conformation with an N-C-C-O torsion angle of 179.4 (3)°. In the crystal structure, pairs of mol-ecules are connected by inter-molecular N-H⋯O and weak C-H⋯O hydrogen bonds, forming centrosymmetric dimers. ...[more]

PMID: 21588430

Similar Datasets

2-Hy-droxy-ethyl-ammonium [2-(2,6-di-chloro-anilino)phen-yl]acetate monohydrate.

Project description:In the solid-state structure of the title compound derived from diclofenac, C2H8NO+·C14H10Cl2NO2 -·H2O, the asymmetric unit contains one cation, one anion and a water mol-ecule, all in general positions. A complex network of hydrogen bonds is present in the crystal structure.

| S-EPMC9462027 | biostudies-literature

Ethyl 2-[(Z)-2-cyano-imino-1,3-thiazolidin-3-yl]acetate.

Project description:In the title mol-ecule, C(8)H(11)N(3)O(2)S, the puckering amplitude of the thia-zolidine ring is q(2) = 0.3011?(5)?Å and the conformation is an envelope. There are weak inter-molecular C-H?O inter-actions which stabilize the crystal structure.

| S-EPMC2961649 | biostudies-literature

Crystal structure of ethyl 2-(4-chloro-anilino)acetate.

Project description:The title compound, C10H12ClNO2, is close to planar (r.m.s. deviation for the 14 non-H atoms = 0.053?Å). In the crystal, inversion dimers linked by pairs of N-H?Oc (c = carbox-yl) hydrogen bonds generate R 2 (2)(10) loops.

| S-EPMC4186106 | biostudies-literature

Ethyl 2-(1,2,3,4-tetrahydro-spiro-[carba-zole-3,2'-[1,3]dioxolan]-9-yl)acetate.

Project description:In the title compound, C(18)H(21)NO(4), the hydrogenated six-membered ring of the carbazole unit adopts a half-chair conformation. The dioxolane ring and ethyl-acetate substituent point to opposite sides of the carbazole plane. The ethyl-acetate substituent adopts an essentially fully extended conformation, and its mean plane forms a dihedral angle of 83.8 (1)° with respect to the carbazole mean plane. The mol-ecules are arranged into stacks in which the carbazole planes form a dihedral angle of 4.4 (1)° and have an approximate inter-planar separation of 3.6 Å.

| S-EPMC2969037 | biostudies-literature

Ethyl 2-(4-chloro-2-oxo-2,3-dihydro-1,3-benzothia-zol-3-yl)acetate.

Project description:In the mol-ecule of the title compound, C(11)H(10)ClNO(3)S, the benzene and thia-zole rings are oriented at a dihedral angle of 1.25 (3)°. Intra-molecular C-H⋯O and C-H⋯Cl inter-actions result in the formation of two five-membered rings which both adopt envelope conformations.

| S-EPMC2969022 | biostudies-literature

Crystal structure of ethyl 2-cyano-2-(1,3-di-thian-2-yl-idene)acetate.

Project description:The title compound, C9H11NO2S2, contains a 1,3-di-thiane ring which has a twist-boat conformation. The dihedral angle between the mean planes of the ethyl acetate group and the di-thiane ring is 17.56 (13)°. In the crystal, mol-ecules stack in layers up the a-axis direction, however, there are no significant inter-molecular inter-actions present.

| S-EPMC5778488 | biostudies-literature

Ethyl 2-[1,3-dioxo-6-(piperidin-1-yl)-2,3-dihydro-1H-benz[de]isoquinolin-2-yl]acetate.

Project description:In the title compound, C(21)H(22)N(2)O(4), the naphthalimide unit is almost planar (r.m.s. deviation = 0.081Å). The carboximide N atom and the five C atoms of the eth-oxy-carbonyl-methyl substituent also lie close to a common plane (r.m.s. deviation = 0.119Å), which subtends an angle of 71.06?(8)° to the naphthalamide plane. The piperidine ring adopts a chair conformation. In the crystal, inter-molecular C-H?O hydrogen bonds link the mol-ecules into zigzag chains along the a axis.

| S-EPMC3152026 | biostudies-literature

(E)-2-{N-Ethyl-4-[(4-nitro-phen-yl)diazen-yl]anilino}ethyl acrylate.

Project description:In the mol-ecule of the title compound, C(19)H(20)N(4)O(4), the rings are almost coplanar, forming a dihedral angle of 0.76 (3)°. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules.

| S-EPMC2961144 | biostudies-literature

Ethyl 2-{(2Z)-2-[(1-naphthyl-sulfon-yl)imino]-2,3-dihydro-1,3-thia-zol-4-yl}acetate monohydrate.

Project description:The title compound, C(17)H(16)N(2)O(4)S(2)·H(2)O, is of inter-est with respect to its anti-diabetic and anti-obesity activity. In the crystal, the packing is stabilized by three cooperative inter-actions: offset ?-? inter-actions [centroid-centroid distance = 3.604?(2)?Å], as well as C-H?O and O-H?O hydrogen bonds. N-H?O inter-actions also occur.

| S-EPMC3009274 | biostudies-literature

Isopropyl 2-[2-(2,6-dichloro-anilino)phen-yl]acetate.

Project description:In the title compound, C(17)H(17)Cl(2)NO(2), the NH group exhibits an intra-molecular hydrogen bond to the carbonyl O atom and no inter-molecular hydrogen bonding, in contrast with previous studies. The dihedral angle between the two benzene rings is 58.57 (5)°. The ester group is planar, the greatest deviation from planarity being 0.0135 (11) Å for the ether O atom.

| S-EPMC2915375 | 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