Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-(2-Nitro-phen-oxy)phthalonitrile.

ABSTRACT: In the title compound, C(14)H(7)N(3)O(3), the dihedral angle between the two arene units is 62.57?(12)°.

SUBMITTER: Zhang XF

PROVIDER: S-EPMC2960199 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-(2-Nitro-phen-oxy)phthalonitrile.

Zhang Xian-Fu XF Jia Dandan D Song Aijun A Liu Qiang Q

Acta crystallographica. Section E, Structure reports online 20080104 Pt 2

In the title compound, C(14)H(7)N(3)O(3), the dihedral angle between the two arene units is 62.57 (12)°. ...[more]

PMID: 21201388

Similar Datasets

4,5-Bis(4-meth-oxy-phen-oxy)phthalonitrile.

Project description:The title compound, C(22)H(16)N(2)O(4), was obtained unintentionally as the product of an attempted synthesis of a new phthalocyanine. The dihedral angles formed by the central benzene ring with the aromatic rings of the meth-oxy-phen-oxy groups are 85.39?(5) and 64.19?(5)°.

| S-EPMC2983375 | biostudies-literature

4,5-Bis(2,4-di-tert-butyl-phen-oxy)phthalonitrile.

Project description:In the title compound, C(36)H(44)N(2)O(2), the dihedral angles between the phthalonitrile ring and the two di-tert-butyl-benzene rings are 68.134 (8) and 70.637 (11)°. The two nitrile groups are almost coplanar with the phthalonitrile ring except for one of the N atoms which deviates from the plane by 0.125 (4) Å. One of the tert-butyl groups is disordered over two orientations, with refined occupancies of 0.814 (6) and 0.186 (6). Intra-molecular C-H⋯O inter-actions stabilize the molecular structure. The crystal packing is stabilized by inter-molecular C-H⋯N inter-actions.

| S-EPMC3051978 | biostudies-literature

4-(4-Nitro-phen-oxy)butanol.

Project description:The crystal structure of the title compound, C(10)H(13)NO(4), features inter-molecular O-H?O(nitro) hydrogen bonding, which links mol-ecules into supra-molecular chains running parallel to the bc diagonal. There is also ?-? stacking between 4-nitro-phenyl groups, the inter-planar distance between the nitro-benzene rings being 3.472?(2)?Å.

| S-EPMC3100064 | biostudies-literature

2-(4-Meth-oxy-phen-oxy)-3-nitro-pyridine.

Project description:In the title mol-ecule, C(12)H(10)N(2)O(4), the pyridine and benzene rings are almost orthogonal [dihedral angle = 86.69 (11)°], with the pyridine N atom directed towards the centre of the benzene ring. The -NO(2) [O-N-C-C = -26.1 (3)°] and -OMe [C-O-C-C = 166.5 (2)°] substituents are not coplanar with their respective aromatic rings. In the crystal, supra-molecular layers in the ab plane are formed via C-H⋯π inter-actions involving methyl H atoms and the pyridine and benzene rings. Short N-O⋯π contacts (where the π-system is derived from the pyridine ring) occur between layers in the c-axis direction.

| S-EPMC3007986 | biostudies-literature

N-[4-(4-Nitro-phen-oxy)phen-yl]propionamide.

Project description:The title compound, C(15)H(14)N(2)O(4), is an important inter-mediate for the synthesis of thermotropic liquid crystals. The dihedral angle between the two aromatic rings is 84.29?(4)°. An N-H?O hydrogen bond connects the mol-ecules into chains running along the b axis. In addition, the crystal packing is stabilized by weak C-H?O hydrogen bonds.

| S-EPMC2959666 | biostudies-literature

N-[4-(4-Nitro-phen-oxy)phen-yl]acetamide.

Project description:The asymmetric unit of the title compound, C(14)H(12)N(2)O(4), contains two mol-ecules that differ principally in the orientation of the acetamide substituent to the adjacent benzene ring with dihedral angles of 44.77 (7) and 19.06 (7)°. The dihedral angles between the benzene rings are 64.46 (4) and 80.84 (4)°. In the crystal, classical N-H⋯O hydrogen bonds form C(4) chains along [100]. These chains are inter-linked by C-H⋯O contacts forming R(2) (2)(10) rings. In the crystal, π-π inter-actions are observed with a distance of 3.5976 (18) Å between the centroids of the nitro-substituted benzene rings of one type of mol-ecule.

| S-EPMC3414940 | biostudies-literature

4-{2-Meth-oxy-6-[(4-methyl-phen-yl)imino-meth-yl]phen-oxy}phthalonitrile.

Project description:In the mol-ecule of the title compound, C(23)H(17)N(3)O(2), the methoxy-phenyl ring is oriented at dihedral angles of 13.34?(12) and 88.83?(12)° with respect to the methyl-phenyl and phthalonitrile rings, respectively; the dihedral angle between methyl-phenyl and phthalonitrile rings is 89.67?(10)°. In the crystal structure, weak inter-molecular C-H?N inter-actions link mol-ecules into chains. A weak C-H?? inter-action is also found..

| S-EPMC2977837 | biostudies-other

2-(2-Fluoro-4-nitro-phen-oxy)-3-nitro-pyridine.

Project description:In the title compound, C11H6FN3O5, the dihedral angle between the aromatic rings is 72.4?(3)°. The NO2 groups form dihedral angles of 40.8?(2) and 4.8?(2)°, respectively, with the attached pyridine and benzene rings. The crystal structure features ?-? stacking between centrosymmetrically related pairs of pyridine rings [centroid-centroid separation = 3.800?(3)?Å].

| S-EPMC3914119 | biostudies-literature

1,4-Bis(2-nitro-phen-oxy)butane.

Project description:The asymmetric unit of the title compound, C(16)H(16)N(2)O(6), contains one-half mol-ecule, the mid-point of the central C-C bond being located on a crystallographic inversion center. The crystal structure shows weak inter-actions between the O atoms of the nitro groups and two different C-H groups of the benzene rings. The extended weak hydrogen-bond formation, involving the NO(2) groups, generates an infinite three-dimensional network.

| S-EPMC2972046 | biostudies-literature

Ethyl 2-(4-nitro-phen-oxy)acetate.

Project description:In the title mol-ecule, C(10)H(11)NO(5), the methyl C atom deviates by 0.830?(6)?Å from the mean plane of the remaining non-H atoms. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules into layers parallel to the bc plane.

| S-EPMC3344636 | 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