Browse
Submit Data
Databases
API
Help

Dataset Information

6 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-Dec-yloxy-4-nitro-benzene.

ABSTRACT: The title compound, C(16)H(25)NO(3), has a zigzag dec-yloxy chain para to the nitro group of the aromatic ring. There are two independent mol-ecules; the two rings are aligned at 48.15 (7)°. In the crystal, weak C-H⋯O hydrogen bonds lead to the formation of infinite chains.

SUBMITTER: Yue XG

PROVIDER: S-EPMC2970962 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

1-Dodec-yloxy-4-nitro-benzene.

Project description:The asymmetric unit of the title compound, C(18)H(29)NO(3), contains two independent mol-ecules. The benzene ring and the mean plane of the alkyl unit form dihedral angles of 83.69 (12) and 77.14 (11)° in the two mol-ecules. In the crystal structure, weak C-H⋯O hydrogen bonds link mol-ecules into double-layer ribbons extending in [110].

| S-EPMC2971973 | biostudies-literature

1-(3,3-Dichloro-all-yloxy)-2-nitro-benzene.

Project description:In the title compound, C(9)H(7)Cl(2)NO(3), the dihedral angle between the benzene ring and the plane of the nitro group is 50.2?(1)°, and that between the benzene ring and the best plane through the dichloro-allyl fragment is 40.1?(1)°.

| S-EPMC3344010 | biostudies-literature

1,4-Dihex-yloxy-2,5-bis-(2-nitro-phen-yl)benzene.

Project description:The title compound, C(30)H(36)N(2)O(6), was prepared via twofold Suzuki coupling of a diboronic acid with bromo-nitro-benzene. The mol-ecule is located on a crystallographic inversion centre. The lateral benzene ring and the central ring make a dihedral angle of 48.75 (14)° and the nitro group is twisted by 41.47 (13)° out of the plane of the benzene ring. The nitro and hex-yloxy groups are in close proximity and the hex-yloxy chain adopts an all-anti conformation.

| S-EPMC3343986 | biostudies-literature

1-[(3-Benz-yloxy-2-nitro-phen-oxy)meth-yl]benzene.

Project description:The asymmetric unit of the title compound, C(20)H(17)NO(4), consists of two crystallographically independent mol-ecules. In one of the mol-ecules, the central benzene ring forms dihedral angles of 2.26?(6) and 58.68?(6)° with the terminal benzene rings and the dihedral angle between the terminal benzene rings is 56.45?(6)°. The corresponding values for the other mol-ecule are 35.17?(6), 70.97?(6) and 69.62?(6)°, respectively. In the crystal, an inversion dimer linked by a pair of C-H?O hydrogen bonds occurs for one of the unique mol-ecules. C-H?? and ?-? [centroid-centroid distances = 3.7113?(8) and 3.7216?(7)?Å] inter-actions link the components into a three-dimensional network.

| S-EPMC3414184 | biostudies-literature

1-Benz-yloxy-4-(2-nitro-ethen-yl)benzene.

Project description:The title compound, C(15)H(13)NO(3), crystallizes with three independent mol-ecules per asymmetric unit (Z' = 3). One of these mol-ecules is found to have a configuration with a greater twist between its two aromatic rings than the other two [compare 70.26?(13) and 72.31?(12)° with 84.22?(12)°]. There are also differences in the number and nature of the weak inter-molecular C-H?O contacts formed by each of the three mol-ecules.

| S-EPMC3009334 | biostudies-other

4-(Benz-yloxy)phenyl 4-hexa-dec-yloxy-3-meth-oxy-benzoate.

Project description:In the title compound, C(37)H(50)O(5), the central benzene ring makes dihedral angles of 39.72?(14) and 64.43?(13)° with the benzyl and 3-meth-oxy-benzoate rings, respectively. The crystal structure is stabilized by inter-molecular C-H?? inter-actions involving the central benzene ring and the benzene ring closest to the aliphatic chain.

| S-EPMC3100024 | biostudies-literature

2-Chloro-1-(3-fluoro-benz-yloxy)-4-nitro-benzene.

Project description:In the title compound, C(13)H(9)ClFNO(3), the benzene rings are oriented at a dihedral angle of 41.23?(5)°. In the crystal structure, inter-molecular C-H?O inter-actions link the mol-ecules in a herring-bone arrangement along the b axis and weak ?-? contacts between the benzene rings [centroid-centroid distance = 3.881?(1)?Å] may further stabilize the structure.

| S-EPMC2970168 | biostudies-other

2-Chloro-4-(3,3-dichloro-all-yloxy)-1-nitro-benzene.

Project description:In the crystal structure of the title compound, C(9)H(6)Cl(3)NO(3), mol-ecules are connected by C-H?O hydrogen bonds, forming chains along the b axis. The dihedral angle between the benzene ring and the plane of the nitro group is 16.2?(1)° and that between the benzene ring and the plane of the dichloro-allyl group is 10.2?(1)°.

| S-EPMC3379208 | biostudies-other

1-(3,3-Dichloro-all-yloxy)-4-methyl-2-nitro-benzene.

Project description:In the title compound, C(10)H(9)Cl(2)NO(3), the dihedral angle between the benzene ring and the plane of the nitro group is 39.1?(1)°, while that between the benzene ring and the plane through the three C and two Cl atoms of the dichloro-all-yloxy unit is 40.1?(1)°. In the crystal, C-H?O hydrogen bonds to the nitro groups form chains along the b axis. These chains are linked by inversion-related pairs of Cl?O inter-actions at a distance of 3.060?(3)?Å, forming sheets approximately parallel to [-201] and generating R(2) (2)(18) rings. ?-? contacts between benzene rings in adjacent sheets, with centroid-centroid distances of 3.671?(2)?Å, stack mol-ecules along c.

| S-EPMC3379484 | biostudies-other

1,4-Bis(hex-yloxy)benzene.

Project description:The asymmetric unit of the title compound, C18H30O2, contains one half-mol-ecule situated on an inversion center. The alkyl chain adopts a fully extended all-trans conformation. The C atoms of the alkyl chain are almost coplanar, with a maximum deviation of 0.042?(6)?Å from the mean plane,which is inclined to the central benzene ring by 6.80?(9)°. The crystal packing exhibits no short inter-molecular contacts.

| S-EPMC3884367 | 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