Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-(Benz-yloxy)benzaldehyde.

ABSTRACT: The title compound, C(14)H(12)O(2), has an essentially planar conformation with the two aromatic rings forming a dihedral angle of 5.23?(9)° and the aldehyde group lying in the plane of its aromatic group [maximum deviation = 0.204?(3)?Å]. Weak inter-molecular C-H?O contacts are found to be shortest between the aldehyde O-atom acceptor and the H atoms of the methyl-ene group.

SUBMITTER: Kennedy AR

PROVIDER: S-EPMC3007533 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-(Benz-yloxy)benzaldehyde.

Kennedy Alan R AR Kipkorir Zaccheus R ZR Muhanji Claire I CI Okoth Maurice O MO

Acta crystallographica. Section E, Structure reports online 20100724 Pt 8

The title compound, C(14)H(12)O(2), has an essentially planar conformation with the two aromatic rings forming a dihedral angle of 5.23 (9)° and the aldehyde group lying in the plane of its aromatic group [maximum deviation = 0.204 (3) Å]. Weak inter-molecular C-H⋯O contacts are found to be shortest between the aldehyde O-atom acceptor and the H atoms of the methyl-ene group. ...[more]

PMID: 21588401

Similar Datasets

(E)-4-(Benz-yloxy)benzaldehyde thio-semicarbazone.

Project description:In the title compound, C(15)H(15)N(3)OS, the thio-semicarbazone group adopts an E configuration with respect to the C=N bond. The benzaldehyde thio-semicarbazone fragment is almost planar [maximum deviation = 0.012?(1)?Å], while the dihedral angle between the benz-yloxy and phenyl rings is 72.48?(5)°. In the crystal structure, mol-ecules are inter-connected by N-H?N and N-H?S hydrogen bonds, forming a two-dimensional network parallel to the bc plane and are further stacked along the a axis by ?-? inter-actions [centroid-centroid separation 3.9043?(7)?Å]. The crystal structure is also stabilized by C-H?? inter-actions.

| S-EPMC2961576 | biostudies-literature

3-Methoxy-4-(4-nitro-benz-yloxy)-benzaldehyde.

Project description:In the title compound, C(15)H(13)NO(5), the vanillin group makes a dihedral angle of 4.95 (8)° with the benzene ring of the nitro-benzene group. The packing is stabilized by weak, non-classical inter-molecular C-H⋯O inter-actions which link mol-ecules into chains running along the c axis.

| S-EPMC2959811 | biostudies-literature

4-[3-(Bromo-meth-yl)benz-yloxy]-3-methoxy-benzaldehyde.

Project description:In the title compound, C(16)H(15)BrO(3), the dihedral angle between the mean planes of the two benzene rings is 76.64?(2)°. In the crystal structure, there are weak ?-? stacking inter-actions, with a centroid-centroid distance of 3.724?(3)?Å, as well as an inter-molecular C?Br distance [3.495?(2)?Å] which is slightly less than the sum of the van der Waals radii for these atoms.

| S-EPMC2983760 | biostudies-literature

4-Meth-oxy-3-(4-nitro-benz-yloxy)benzaldehyde.

Project description:In the title compound, C(15)H(13)NO(5), the two benzene rings make a dihedral angle of 3.98?(7)°. The crystal packing is stabilized by weak non-classical inter-molecular C-H?O inter-actions that link mol-ecules into centrosymmetric tetra-mers.

| S-EPMC3120527 | biostudies-other

2-(2-{2-[2-(Dibromo-meth-yl)phen-oxy]eth-oxy}benz-yloxy)benzaldehyde.

Project description:The mol-ecule of the title compound, C(23)H(20)Br(2)O(4), adopts a Z conformation as a result of inter-molecular C-H⋯Br bonding. One benzene ring, with the structure R-CHBr(2), makes a dihedral angle of 63.0 (2)° with the other benzene ring attached to the aldehyde group. Inter-molecular π-π stacking inter-actions [centroid-centroid distance = 3.698 (4) Å] and a weak C-H⋯Br contact is present in the crystal structure.

| S-EPMC3052107 | biostudies-literature

1-(Benz-yloxy)naphthalene.

Project description:In the title compound, C(17)H(14)O, the dihedral angle between the naphthyl ring system and the benzyl group is 83.22?(4)°. Both of these moieties are planar, with mean deviations from their least-squares planes, defined by the naphthyl ring C atoms and the O atom, and the phenyl ring C atoms and the benzyl ?-C atom, of 0.0176?(1) and 0.0024?(13)?Å, respectively. The crystal structure is stabilized by C-H?? and ?-? inter-actions [centroid-centroid distance = 3.7817?(10)?Å].

| S-EPMC3257161 | biostudies-literature

4-Hex-yloxy-3-methoxy-benzaldehyde.

Project description:The title compound, C(14)H(20)O(3), is a synthetic analogue with a long aliphatic side chain of the important food additive and flavoring agent, vanillin. There are two independent mol-ecules in the asymmetric unit, each having an essentially planar conformation (r.m.s. deviations of 0.023 and 0.051Å for all non-H atoms of the two mol-ecules in the asymmetric unit).

| S-EPMC2969539 | biostudies-literature

5,7-Bis(benz-yloxy)-2-[4-(benz-yloxy)phen-yl]-4H-chromen-4-one.

Project description:In the title compound, C(36)H(28)O(5), the terminal benzene rings are twisted at dihedral angles of 6.75?(12), 70.86?(14) and 82.02?(12)° with the respect to the central plana r[maximum deviation = 0.070?(3)?Å] chromen-4-one ring system. In the crystal structure, ?-? stacking is observed between parallel benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.7459?(16)?Å].

| S-EPMC2980130 | biostudies-literature

2-Benz-yloxy-1-naphthaldehyde.

Project description:In the title compound, C(18)H(14)O(2), the dihedral angle between the phenyl and naphthyl ring systems is 21.8?(3)°. The packing of mol-ecules in the crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2968638 | biostudies-literature

1-Benz-yloxy-1H-benzotriazole.

Project description:In the title compound, C(13)H(11)N(3)O, the dihedral angle between the benzotriazole ring system [maximum deviation = 0.027 (16) Å] and the benzene ring is 10.28 (9)°. The C-C-O-N bond adopts an anti conformation [torsion angle = -177.11 (16)°]. In the crystal, the mol-ecules inter-act via weak C-H⋯π inter-actions and aromatic π-π stacking [centroid-to-centroid distance = 3.731 (12) Å].

| S-EPMC3394030 | 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