Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,6-Dichloro-benzaldehyde oxime.

ABSTRACT: In the title compound, C(7)H(5)Cl(2)NO, there are two mol-ecules in the asymmetric unit. The mol-ecules are essentially identical. Each mol-ecule is connected to a symmetry-related mol-ecule through an inversion center by O-H?N hydrogen bonds, building an R(2) (2)(6) graph-set motif.

SUBMITTER: Bao FY

PROVIDER: S-EPMC2959647 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,6-Dichloro-benzaldehyde oxime.

Bao Feng-Yu FY

Acta crystallographica. Section E, Structure reports online 20081018 Pt 11

In the title compound, C(7)H(5)Cl(2)NO, there are two mol-ecules in the asymmetric unit. The mol-ecules are essentially identical. Each mol-ecule is connected to a symmetry-related mol-ecule through an inversion center by O-H⋯N hydrogen bonds, building an R(2) (2)(6) graph-set motif. ...[more]

PMID: 21580995

Similar Datasets

2,4-Dichloro-benzaldehyde.

Project description:In the crystal structure of the title compound, C(7)H(4)Cl(2)O, the mol-ecules form a network of weak C-H?O inter-actions involving the aldehyde O atom and the ortho-H atom on the benzene ring together with C-H?O inter-actions between the formyl groups. Together, these connect the mol-ecules into (10) layers, which are stabilized additionally by ?-? stacking inter-actions of the benzene rings [centroid-centroid distance = 3.772?(1)?Å]. The aldehyde group is twisted relative to the benzene ring by 7.94?(13)°.

| S-EPMC2980260 | biostudies-literature

(E)-2-Bromo-benzaldehyde oxime.

Project description:The configuration of the C=N double bond of the title compound, C(7)H(6)BrNO, is E; the non-H atoms are approximately coplanar (r.m.s. deviation = 0.038?Å). In the crystal, pairs of mol-ecules are linked by a pair of O-H?N hydrogen bonds about a center of inversion, generating hydrogen-bonded dimers.

| S-EPMC3200743 | biostudies-literature

(E)-4-Nitro-benzaldehyde oxime.

Project description:In the title compound, C(7)H(6)N(2)O(3), the planes containing the CNO and ONO atoms subtend dihedral angles of 5.47 (5) and 8.31 (5)°, respectively, with the benzene ring. In the crystal structure, inter-molecular O-H⋯N hydrogen bonds link the mol-ecules into centrosymmetric dimers with an R(2) (2)(6) graph-set motif.

| S-EPMC2979095 | biostudies-literature

(E)-3,5-Dimeth-oxy-benzaldehyde oxime.

Project description:In the title compound, C(9)H(11)NO(3), the oxime grouping is twisted by 12.68?(6)° with respect to the dimethoxyl-benzene ring. In the crystal, mol-ecules are linked into an infinite [100] chain via O-H?N hydrogen bonds, instead of the more common oxime packing motif of dimers with an R(2) (2)(6) graph-set motif.

| S-EPMC3009152 | biostudies-literature

3,5-Dichloro-2-hydroxy-benzaldehyde.

Project description:The title compound, C(7)H(4)Cl(2)O(2), exhibits a layer crystal structure; mol-ecules within each layer are linked by weak C-H⋯O inter-molecular hydrogen bonds. There is also an intramolecular O-H⋯O hydrogen bond.

| S-EPMC2961496 | biostudies-literature

2,4-Dichloro-benzaldehyde 4-methyl-thio-semicarbazone.

Project description:The mol-ecule of the title compound, C(9)H(9)Cl(2)N(3)S, has an E configuration about the C=N bond. In the crystal, mol-ecules are linked through inter-molecular N-H?S hydrogen bonds, forming zigzag chains along the a axis.

| S-EPMC3050402 | biostudies-literature

2,4-Dichloro-benzaldehyde 2,4-dinitro-phenyl-hydrazone.

Project description:The asymmetric unit of the title compound, C(13)H(8)Cl(2)N(4)O(4), contains two independent but similar and almost planar mol-ecules. An intra-molecular N-H⋯O hydrogen bond is observed in each mol-ecule.

| S-EPMC2962065 | biostudies-literature

2,6-Dichloro-aniline-4-(2,6-dichloro-anilino)-pent-3-en-2-one (1/2).

Project description:The asymmetric unit of the title compound, C6H5Cl2N·2C11H11Cl2NO, is composed of one mol-ecule of an enamino-ketone [i.e. -(2,6-dichloro-phenyl-amino)-pent-3-en-2-one] and half a mol-ecule of 2,6-dichloro-aniline, the whole mol-ecule of the latter component being generated by twofold rotational symmetry. In this latter mol-ecule, there are two intra-molecular N-H?Cl contacts. In the enamino-ketone mol-ecule, there is an N-H?O hydrogen bond of moderate strength, and the dihedral angle between the benzene ring and penta-none fragment [C-C(-N)=C-C(=O)-C; planar within 0.005?(1)?Å] is 81.85?(7)°. In the crystal, two mol-ecules of the enamino-ketone are bridged by a mol-ecule of 2,6-dichloro-aniline via N-H?O hydrogen bonds of moderate strength. There are also ?-? inter-actions present, involving the benzene rings of inversion-related enamino-ketone mol-ecules [centroid-centroid distance = 3.724?(4)?Å].

| S-EPMC3588339 | biostudies-literature

2,6-Dichloro-3-nitro-pyridine.

Project description:The asymmetric unit of the title compound, C(5)H(2)Cl(2)N(2)O(2), consists of two crystallographically independent mol-ecules. The pyridine ring in each mol-ecule is essentially planar, with maximum deviations of 0.004?(4) and 0.007?(4)?Å. Short Cl?O [3.09?(3) and 3.13?(4)?Å] and Cl?Cl [3.38?(12)?Å] contacts were observed. No significant inter-molecular inter-actions were observed in the crystal packing.

| S-EPMC3152078 | biostudies-literature

2,6-Dichloro-N-phenyl-benzamide.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(13)H(9)Cl(2)NO, in which the dihedral angles between the phenyl and dichloro-phenyl rings have significantly different values [48.5 (3) and 65.1 (3)°]. In the crystal, the mol-ecules are linked via inter-molecular N-H⋯O hydrogen bonds into chains running parallel to the c axis.

| S-EPMC3151959 | 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