Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Zhang H

PROVIDER: S-EPMC3470253 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Zhang Hongxia H Qu Donghui D Ma Jing J

Acta crystallographica. Section E, Structure reports online 20120908 Pt 10

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. ...[more]

PMID: 23125697

Similar Datasets

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

Project description: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.

| S-EPMC3793742 | biostudies-literature

Methyl 3-[4-(4-nitro-benz-yloxy)phen-yl]propano-ate.

Project description:The title compound, C(17)H(17)NO(5), crystallizes with two mol-ecules (A and B) in the asymmetric unit. The conformational structures of the two mol-ecules show small but significant differences in the dihedral angles between the two aryl rings with values of 18.8 (1)° for mol-ecule A and 7.5 (1)° for mol-ecule B. In mol-ecule A, the propano-ate group is twisted out of the plane of the benzene group [C(ar)-C(ar)-C-C torsion angle = -44.9 (2)°], while for mol-ecule B, this group lies closer to the plane [C(ar)-C(ar)-C-C torsion angle = 8.6 (3)°]. C-H⋯O inter-actions characterize the crystal-packing inter-actions in this compound.

| S-EPMC3393271 | biostudies-literature

Methyl 2-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl-idene)(4-nitro-phen-yl)meth-yl]amino}-3-phenyl-propano-ate.

Project description:The mol-ecule of the title compound, C(27)H(24)N(4)O(5), exists in the keto-enamine tautomeric form, stabilized by an intra-molecular N-H?O hydrogen bond. An intra-molecular C-H?·O hydrogen bond also occurs. In the crystal, C-H?O hydrogen bonds link the mol-ecules into chains.

| S-EPMC3344020 | 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

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

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⋯π inter-actions.

| S-EPMC3414282 | biostudies-literature

4-Nitro-phenyl 2-bromo-2-methyl-propano-ate.

Project description:In the title compound, C(10)H(10)BrNO(4), the planes of the carboxyl-ate and nitro groups are rotated by 60.53 (13) and 6.4 (3)°, respectively, to the benzene ring. In the crystal, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into zigzag chains parallel to the c axis.

| S-EPMC3051967 | biostudies-literature

(E)-4-[(4-Nitro-phen-yl)diazen-yl]phenyl anthracene-9-carboxyl-ate.

Project description:In the title compound, C(27)H(17)N(3)O(4), the azo group displays a trans conformation and the dihedral angles between the central benzene ring and the pendant anthracene and nitro-benzene rings are 82.94 (7) and 7.30 (9)°, respectively. In the crystal structure, weak C-H⋯O hydrogen bonds, likely associated with a dipole moment present on the mol-ecule, help to consolidate the packing.

| S-EPMC2959833 | biostudies-literature

Crystal structures of 4-chloro-phenyl N-(3,5-di-nitro-phen-yl)carbamate and phenyl N-(3,5-di-nitro-phen-yl)carbamate.

Project description:The title compounds, C13H8ClN3O6, (I), and C13H9N3O6, (II), differ in the orientation of the two aromatic rings. In (I), they are essentially coplanar, making a dihedral angle of 8.2 (1)°, while in (II), they are inclined to one another by 76.2 (1)°. The two nitro groups are essentially coplanar with the attached benzene rings, as indicated by the dihedral angles of 1.4 (2) and 2.3 (2)° in (I), and 4.96 (18) and 5.4 (2)° in (II). The carbamate group is twisted slightly from the attached benzene ring, with a C-N-C-O torsion angle of -170.17 (15)° for (I) and 168.91 (13)° for (II). In the crystals of of both compounds, mol-ecules are linked via N-H⋯O hydrogen bonds, forming chains propagating along [010]. In (I), C-H⋯O hydrogen bonds also link mol-ecules within the chains. The crystal packing in (I) also features a very weak π-π inter-action [centroid-centroid distance = 3.7519 (9) Å].

| S-EPMC4518992 | 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