Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-Benz-yloxy-4-chloro-benzene.

ABSTRACT: In the title compound, C(13)H(11)ClO, the two benzene rings are close to coplanar, making a dihedral angle of 3.4?(1)° The crystal structure is stabilized by weak C-H?? inter-actions involving both benzene rings.

SUBMITTER: Wang GX

PROVIDER: S-EPMC2980007 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

1-Benz-yloxy-4-chloro-benzene.

Wang Guo-Xi GX

Acta crystallographica. Section E, Structure reports online 20091204 Pt 1

In the title compound, C(13)H(11)ClO, the two benzene rings are close to coplanar, making a dihedral angle of 3.4 (1)° The crystal structure is stabilized by weak C-H⋯π inter-actions involving both benzene rings. ...[more]

PMID: 21580153

Similar Datasets

1-Benz-yloxy-2,5-bis-(chloro-meth-yl)-4-meth-oxy-benzene.

Project description:In the title compound, C(16)H(16)Cl(2)O(2), the dihedral angle between the two rings is 52.65?(10)°. The two Cl atoms are trans to one another being displaced by 1.644?(5) and -1.664?(4)?Å from the plane of the benzene ring. Except for the two Cl atoms and the C atoms of the ring of the benz-yloxy group, all the other atoms of the compound lie in the same plane [maximum deviation = 0.056?(3)?Å]. In the crystal, no significant intermolecular interactions are observed.

| S-EPMC3414275 | 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

1-(3-Chloro-benz-yloxy)urea.

Project description:The asymmetric unit of the crystal structure of the title compound, C(8)H(9)ClN(2)O(2), contains four independent mol-ecules. The dihedral angles between the urea N-(C=O)-N planes and the benzene rings are 83.3?(3), 87.8?(1), 89.1?(1) and 17.5?(2)° in the four mol-ecules. Extensive N-H?O hydrogen bonding is present in the crystal structure.

| S-EPMC2972183 | 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-[2-(4-Chloro-benz-yloxy)-2-phenyl-ethyl]-1H-benzotriazole.

Project description:The asymmetric unit of the title compound, C(21)H(18)ClN(3)O, contains two crystallographically independent mol-ecules which differ slightly in the orientations of chloro-benz-yloxy units. In one of the mol-ecules, the phenyl and chloro-phenyl rings are oriented at dihedral angles of 38.09?(6) and 42.15?(6)°, respectively, with respect to the benzotriazole ring [43.23?(6) and 29.80?(6)° in the other mol-ecule]. The dihedral angle between the phenyl and chloro-phenyl rings is 77.63?(6)° in one of the mol-ecules and 72.97?(6)° in the other. The crystal structure is stabilized by weak C-H?? inter-actions.

| S-EPMC2979387 | biostudies-literature

1,4-Bis(benz-yloxy)-2-tert-butyl-benzene.

Project description:The title compound, C(24)H(26)O(2), was obtained unintentionally as the product of an attempted synthesis of a new chiral cobalt salen catalyst. There are no classical hydrogen bonds; inter-molecular C-H?? stacking inter-actions between aromatic rings help to establish the mol-ecular conformation.

| S-EPMC2960852 | biostudies-other

4-Benz-yloxy-2-bromo-1-meth-oxy-benzene.

Project description:In the title compound, C(14)H(13)BrO(2), the phenyl ring is oriented at a dihedral angle of 72.6?(3)° with respect to the bromo-meth-oxy-phenyl ring. The crystal structure is stabilized by weak inter-molecular C-H?O inter-actions.

| S-EPMC3200816 | biostudies-other

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

2-[2-(2,6-Di-chloro-benz-yloxy)-2-phenyl-eth-yl]-2H-indazole.

Project description:In the title compound, C22H18Cl2N2O, the indazole ring system is approximately planar [maximum deviation = 0.031 (2) Å], its mean plane is oriented at 3.17 (4) and 19.34 (4)° with respect to the phenyl and benzene rings. In the crystal, weak C-H⋯π inter-actions link the mol-ecules into supra-molecular chains running along the b-axis direction.

| S-EPMC3998539 | biostudies-literature

1,2-Bis(benz-yloxy)-1,2-bis-(4-chloro-phen-yl)-3,8-dimeth-oxy-acenaphthene.

Project description:In the title compound, C(40)H(32)Cl(2)O(4), the two chloro-benzene rings are in syn orientations with respect to the naphthalene ring system and make dihedral angles of 57.12?(6) and 85.74?(6)° with it. The benzene rings of the benz-yloxy group make dihedral angles of 75.34?(6) and 83.95?(7)°, with the naphthalene ring system. In the crystal, the mol-ecules are linked by inter-molecular C-H?Cl inter-actions between the methyl-ene H atoms of the benz-yloxy group and the Cl atoms in adjacent mol-ecules. Furthermore, centrosymmetrically related mol-ecules are linked into dimeric units by pairs of C-H?? inter-actions.

| S-EPMC3201419 | 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