Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Ethyl 3-(4-chloro-phen-yl)-2-phenyl-3-(4-phenyl-1,2,3-selena-diazol-5-yl)propano-ate.

ABSTRACT: In the title compound, C25H21ClN2O2Se, the selena-diazole ring is almost planar [maximum deviation = 0.004?(2)?Å], and the adjacent benzene ring is twisted by 50.6?(1)° with respect to this ring.

SUBMITTER: Sugumar P

PROVIDER: S-EPMC3793742 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Ethyl 3-(4-chloro-phen-yl)-2-phenyl-3-(4-phenyl-1,2,3-selena-diazol-5-yl)propano-ate.

Sugumar P P Sankari S S Manisankar P P Thiruselvam V V Ponnuswamy M N MN

Acta crystallographica. Section E, Structure reports online 20130710 Pt 8

In the title compound, C25H21ClN2O2Se, the selena-diazole ring is almost planar [maximum deviation = 0.004 (2) Å], and the adjacent benzene ring is twisted by 50.6 (1)° with respect to this ring. ...[more]

PMID: 24109329

Similar Datasets

Ethyl 3-(4-meth-oxy-phen-yl)-2-phenyl-3-(4-phenyl-1,2,3-selenadiazol-5-yl)propano-ate.

Project description:In the title compound, C(26)H(24)N(2)O(3)Se, the selenadiazole ring is planar [maximum deviation = 0.002?(2)?Å]. The dihedral angle between the selenadiazole ring and the attached phenyl ring is 49.00?(13)°. The crystal structure is stabilized by inter-molecular C-H?N and C-H?? inter-actions.

| S-EPMC3414282 | biostudies-literature

N-(2-Chloro-phen-yl)-1-phenyl-formamido 3-(2-nitro-phen-yl)propano-ate.

Project description:In the title mol-ecule, C(22)H(17)ClN(2)O(5), the nitro-substituted benzene ring makes a dihedral angle of 79.22?(1)° with the benzoyl ring and 53.03?(1)° with the chloro-substituted benzene ring. An intra-molecular C-H?O hydrogen bond occurs. The crystal structure features weak C-H?Cl and C-H?O inter-actions.

| S-EPMC3470253 | biostudies-literature

Ethyl 2-[4-(4-chloro-benzo-yl)phen-oxy]-2-methyl-propano-ate.

Project description:In the title compound, C(19)H(19)ClO(4), the dihedral angle between the mean planes of the benzene rings is 126.8?(1)°. Weak C-H?O inter-actions are observed.

| S-EPMC3379337 | biostudies-literature

N-(2-Chloro-phen-yl)-1-(4-chloro-phen-yl)formamido 3-(2-nitrophenyl)-propano-ate.

Project description:In the title hydroxamic acid derivative, C22H16Cl2N2O5, the nitro-substituted benzene ring forms dihedral angles of 26.95?(15) and 87.06?(15)°, with the 4-chloro- and 2-chloro-substituted benzene rings, respectively. The dihedral angle between the chloro-substituted benzene rings is 68.19?(13)°. The O atoms of the nitro group were refined as disordered over two sets of sites with equal occupancies. In the crystal, weak C-H?O(=C) hydrogen bonds link mol-ecules along [100].

| S-EPMC3589069 | biostudies-literature

Ethyl 2-(4-chloro-phen-yl)-1-phenyl-1H-benzimidazole-5-carboxyl-ate.

Project description:In the title compound, C(22)H(17)ClN(2)O(2), the essentially planar benzimidazole ring system [maximum deviation = 0.012?(2)?Å] forms dihedral angles of 28.69?(6) and 63.65?(7)°, respectively, with the phenyl and chloro-substituted benzene rings. The dihedral angle between the phenyl and benzene rings is 64.23?(8)°. In the crystal, mol-ecules are linked into a zigzag chain along the a axis by inter-molecular C-H?O hydrogen bonds. C-H?? inter-actions are also present.

| S-EPMC3379429 | biostudies-literature

Ethyl 2-phenyl-3-(4-phenyl-1,2,3-selenadiazol-5-yl)-3-p-tolyl-propano-ate.

Project description:In the title compound, C(26)H(24)N(2)O(2)Se, the selenadiazole ring is essentially planar [maximum deviation = 0.004?(3)?Å]. The dihedral angle between the selenadiazole ring and the attached benzene ring is 50.17?(1)°. The crystal packing is stabilized by inter-molecular C-H?N inter-actions.

| S-EPMC3275202 | biostudies-other

Ethyl 3-(4-chloro-phen-yl)-1-(2-oxo-2-phenyl-eth-yl)-1H-pyrazole-5-carboxyl-ate.

Project description:In the title compound, C(20)H(17)ClN(2)O(3), the dihedral angles between the pyrazole ring and the substituted and unsubstituted benzene rings are 3.64?(13) and 81.15?(17)°, respectively. Mol-ecules are connected via three pairs of weak hydrogen bonds into a centrosymmetric dimer. The crystal structure is stabilized by inter-molecular C-H?O and C-H?? inter-actions.

| S-EPMC3212303 | biostudies-literature

Methyl 2-[4-(4-chloro-benzo-yl)phen-oxy]-2-methyl-propano-ate.

Project description:In the title compound, C(18)H(17)ClO(4), the dihedral angle between the mean planes of the benzene rings is 53.4?(1)°. Weak inter-molecular C-H?O inter-actions are observed.

| S-EPMC3379272 | biostudies-literature

N'-[(E)-1-(4-Chloro-phen-yl)ethyl-idene]-2-[4-(2-methyl-prop-yl)phen-yl]propano-hydrazide.

Project description:The asymmetric unit of the title compound, C(21)H(25)ClN(2)O, contains four crystallographically independent mol-ecules, which differ mainly in the orientation of the isobutyl groups. The benzene rings are almost orthogonal to each other, forming dihedral angles of 87.40 (6), 88.69 (6), 84.88 (6) and 85.12 (6)° in the four mol-ecules. The crystal structure is stabilized by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds, together with C-H⋯π inter-actions.

| S-EPMC2967938 | biostudies-literature

rac-Ethyl 2-amino-3-hy-droxy-3-[4-(methyl-sulfon-yl)phen-yl]propano-ate.

Project description:In the title compound, C(12)H(17)NO(5)S, the orientations of the 2-ethyl-2-amino-3-hy-droxy-propano-ate group and the 4-methyl-sulfonyl moiety towards the aromatic ring are periplanar and (-)-anti-clinal, respectively. In the crystal packing, the dominant inter-action is O-H?N hydrogen bonding, which generates a chain running along [100]. N-H?O and C-H?O interactions are also observed.

| S-EPMC3051553 | 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