Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Nitro-benzyl 2-chloro-acetate.

ABSTRACT: In the mol-ecule of the title compound, C(9)H(8)ClNO(4), an intra-molecular C-H?O inter-action results in the formation of a near-planar (r.m.s. deviation 0.002?Å) five-membered ring, which is oriented at a dihedral angle of 4.07?(4)° with respect to the adjacent aromatic ring. In the crystal structure, inter-molecular C-H?O inter-actions link the mol-ecules into a two-dimensional network.

SUBMITTER: Zhu K

PROVIDER: S-EPMC2970447 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Nitro-benzyl 2-chloro-acetate.

Zhu Kai K Liu Hui H Wang Yan-Hua YH Han Ping-Fang PF Wei Ping P

Acta crystallographica. Section E, Structure reports online 20090905 Pt 10

In the mol-ecule of the title compound, C(9)H(8)ClNO(4), an intra-molecular C-H⋯O inter-action results in the formation of a near-planar (r.m.s. deviation 0.002 Å) five-membered ring, which is oriented at a dihedral angle of 4.07 (4)° with respect to the adjacent aromatic ring. In the crystal structure, inter-molecular C-H⋯O inter-actions link the mol-ecules into a two-dimensional network. ...[more]

PMID: 21577790

Similar Datasets

4-Nitro-benzyl 2-chloro-acetate.

Project description:In the mol-ecule of the title compound, C(9)H(8)ClNO(4), the nearly planar acetate moiety [maximum deviation = 0.015 (3) Å for an O atom] is oriented with respect to the plane of the aromatic ring at a dihedral angle of 73.03 (3)°. In the crystal structure, inter-molecular C-H⋯O inter-actions link mol-ecules into a network. π-π contacts between benzene rings [centroid-centroid distance = 4.000 (1) Å] may further stabilize the structure.

| S-EPMC2969788 | biostudies-literature

4-Nitro-benzyl 2-bromo-acetate.

Project description:In the mol-ecule of the title compound, C(9)H(8)BrNO(4), the acetate group is close to planar [maximum deviation = 0.042?(3)?Å] and is oriented at a dihedral angle of 73.24?(3)° with respect to the aromatic ring. In the crystal structure, inter-molecular C-H?O inter-actions link the mol-ecules into a three-dimensional network, forming R(2) (2)(10) ring motifs.

| S-EPMC2969485 | biostudies-literature

3-Chloro-N'-(2-chloro-5-nitro-benzyl-idene)-benzohydrazide.

Project description:The title mol-ecule, C(14)H(9)Cl(2)N(3)O(3), has an E configuration with respect to the methyl-idene unit. The dihedral angle between the mean planes of the two benzene rings is 12.3?(3)°. In the crystal, mol-ecules are linked via bifurcated N-H?(O, N) hydrogen bonds into chains along [001].

| S-EPMC3152110 | biostudies-literature

(E)-4-Chloro-benzyl 3-(3-nitro-benzyl-idene)dithio-carbazate.

Project description:In the title compound, C(15)H(12)ClN(3)O(2)S(2), the dihedral angle between the aromatic rings is 89.71?(10)°. In the crystal, inversion dimers linked by pairs of N-H?S hydrogen bonds occur.

| S-EPMC2971783 | biostudies-literature

N'-(2-Chloro-benzyl-idene)-4-nitro-benzohydrazide.

Project description:In the title compound, C(14)H(10)ClN(3)O(3), the dihedral angle between the benzene rings is 6.64?(13)°. In the crystal, mol-ecules are linked through N-H?O hydrogen bonds, forming chains running along the c axis direction.

| S-EPMC3275020 | biostudies-literature

N'-(2-Chloro-5-nitro-benzyl-idene)isonicotinohydrazide.

Project description:The title compound, C(13)H(9)ClN(4)O(3), was synthesized by the condensation reaction of 2-chloro-5-nitro-benzaldehyde with isonicotinohydrazide in a methanol solution. The mol-ecule of the compound displays a trans configuration with respect to the C=N and C-N bonds. The dihedral angle between the benzene and pyridine rings is 12.1?(2)°. In the crystal structure, adjacent mol-ecules are linked through inter-molecular N-H?O hydrogen bonds, forming dimers.

| S-EPMC2968476 | biostudies-literature

2-Chloro-N'-(4-nitro-benzyl-idene)benzo-hydrazide.

Project description:The title Schiff base compound, C(14)H(10)ClN(3)O(3), exists in a trans configuration with respect to the C=N bond. The dihedral angle between the two benzene rings is 15.9?(2)°. In the crystal, the mol-ecules are linked into chains along [101] by inter-molecular N-H?O hydrogen bonds.

| S-EPMC2979746 | biostudies-literature

4-Chloro-N'-[(Z)-4-nitro-benzyl-idene]benzohydrazide monohydrate.

Project description:In the title compound, C(14)H(10)ClN(3)O(3)·H(2)O, the benzohydrazide group is not planar and the mol-ecule exists in a cis configuration with respect to the methyl-idene unit. The dihedral angle between the two substituted benzene rings is 38.7?(3)°. In the crystal structure, mol-ecules are linked by O-H?O, O-H?N and N-H?O hydrogen bonds into a two-dimensional network parallel to the (100) plane. The crystal structure is further stabilized by weak C-H?O inter-actions.

| S-EPMC2960631 | biostudies-literature

N-(4-Chloro-benzyl-idene)-4-nitro-benzene-1,2-diamine.

Project description:In the title compound, C(13)H(10)ClN(3)O(2), the dihedral angle between the two benzene rings is 3.61 (6)°. In the crystal structure, mol-ecules are linked by weak inter-molecular C-H⋯O hydrogen bonds, forming layers parallel to the bc plane. Short inter-molecular Cl⋯Cl contacts [3.491 (1) Å] are also observed.

| S-EPMC3007845 | biostudies-literature

2-Chloro-N'-(5-hydr-oxy-2-nitro-benzyl-idene)benzohydrazide.

Project description:The mol-ecule of the title Schiff base compound, C(14)H(10)ClN(3)O(4), exists in a trans configuration with respect to the acyclic C=N bond. The dihedral angle between the two benzene rings is 62.37?(9)°. An intra-molecular C-H?O hydrogen bond is observed. In the crystal structure, adjacent mol-ecules are linked into a ribbon along [10] by O-H?O and N-H?O hydrogen bonds.

| S-EPMC2979760 | 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