Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4'-Formyl-biphenyl-4-yl acetate.

ABSTRACT: In the title compound, C(15)H(12)O(3), the dihedral angle between the six-membered rings is 30.39?(1)°. The crystal packing is stabilized by inter-molecular C-H?O hydrogen bonds.

SUBMITTER: Xu SG

PROVIDER: S-EPMC2979725 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4'-Formyl-biphenyl-4-yl acetate.

Xu Sheng-Guang SG Liu Jun-Shen JS Wang Chun-Hua CH Ji Chun-Nuan CN Liu Gang G

Acta crystallographica. Section E, Structure reports online 20100120 Pt 2

In the title compound, C(15)H(12)O(3), the dihedral angle between the six-membered rings is 30.39 (1)°. The crystal packing is stabilized by inter-molecular C-H⋯O hydrogen bonds. ...[more]

PMID: 21579819

Similar Datasets

Methyl (2'-hydroxy-biphenyl-2-yl-oxy)acetate.

Project description:The three independent mol-ecules of the title compound, C(15)H(14)O(4), have similar orientations of their aromatic rings, the dihedral angles between the rings being 57.0?(1), 58.1?(1) and 58.2?(1)°. In each mol-ecule, the hydr-oxy group forms an intra-molecular hydrogen bond to the carbonyl O atom, forming an S(10) ring motif.

| S-EPMC2968795 | biostudies-literature

Ethyl 2-[N-(2-formyl-phen-yl)benzene-sulfonamido]acetate.

Project description:In the mol-ecule of the title compound, C(17)H(17)NO(5)S, the two aromatic rings are oriented at an angle of 30.13?(10)°. The ethyl acetate group assumes an extended conformation. Mol-ecules are linked into C(7) chains running along the a axis by inter-molecular C-H?O hydrogen bonds, and the chains are crosslinked via C-H?? inter-actions, with the sulfonyl-bound phenyl ring acting as an acceptor.

| S-EPMC2968473 | biostudies-literature

Ethyl 2-[N-(2-Formyl-phen-yl)benzene-sulfonamido]acetate.

Project description:In the title compound, C(17)H(17)NO(5)S, the N atom is sp(3)-hybridized and the S atom has a distorted tetra-hedral configuration. The dihedral angle between the two aromatic rings is 30.0?(1)°, and that between the ethyl acetate group and the formyl-phenyl ring is 77.4?(1)°. The mol-ecules are linked into chains along [100] by C-H?O hydrogen bonds and the chains are linked via C-H?? inter-actions.

| S-EPMC2968679 | biostudies-literature

1,3-Bis(biphenyl-4-yl)-2,2-dibromo-3-oxopropyl acetate.

Project description:In the title compound, C(29)H(22)Br(2)O(3), the dihedral angles between the mean planes of the benzene rings within each biphenyl group are 26.7?(8) and 30.9?(8)°. The mean planes of the terminal and inner benzene rings of the biphenyl groups bonded through a propan-1-one group in the V-shaped mol-ecule are oriented at angles of 66.1?(7) and 60.0?(8)°, respectively. The two Br atoms are opposite the propen-1-one group. Weak inter-molecular C-H?O and C-H?? inter-actions are observed in the crystal structure.

| S-EPMC3275044 | biostudies-literature

2-[4-Acetyl-5-(biphenyl-4-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate.

Project description:In the title mol-ecule, C(24)H(20)N(2)O(4), the five-membered oxadiazole ring is nearly planar (r.m.s. deviation = 0.053?Å) and the phenyl ring of the biphenyl unit attached to it forms a dihedral angle of 73.2?(1)°; the other phenyl ring is close to coplanar with the oxadiazole ring [dihedral angle = 6.2?(2)°].

| S-EPMC2984012 | biostudies-literature

Tris(biphenyl-4-yl)arsane.

Project description:The asymmetric unit of title compound, C(36)H(27)As, contains two crystallographically independent mol-ecules, A and B, with similar conformations. The two phenyl rings of each biphenyl unit are twisted slightly away from each other with dihedral angles of 6.0 (2), 27.7 (3) and 33.4 (2)° in mol-ecule A and 5.7 (3), 27.5 (2) and 33.0 (2)° in mol-ecule B. The As-bonded phenyl rings make dihedral angles of 54.9 (2), 76.0 (2) and 88.2 (2),° with each other in mol-ecule A, and 60.3 (2), 78.1 (2) and 79.5 (2)° in mol-ecule B. In the crystal, the mol-ecules are stacked down the b axis. Weak inter-molecular C-H⋯π inter-actions stabilize the crystal structure. The crystal studied was a racemic twin, the refined ratio of twin components being 0.461 (7):0.539 (7).

| S-EPMC3051659 | biostudies-literature

[(2R,3S,5R)-3-Acet-oxy-5-(5-formyl-2,4-dioxo-1,2,3,4-tetra-hydro-pyrimidin-1-yl)-2,3,4,5-tetra-hydro-furan-2-yl]methyl acetate.

Project description:In the two independent but very similar mol-ecules (A and B) of the title compound, C(14)H(16)N(2)O(8), both six-membered pyrimidine rings are nearly planar [maximum deviations = 0.010?(3)?Å in A and 0.028?(3)?Å in B]. The five-membered furan-ose ring in mol-ecule A adopts an envelope conformation, while the same ring in mol-ecule B has a twisted conformation. In the crystal, the A mol-ecules are linked via a pair of inter-molecular N-H?O hydrogen bonds, forming dimers. Each A mol-ecule is further linked to a B mol-ecule via a second N-H?O hydrogen bond. There are also a number of C-H?·O inter-actions present, leading to the formation of a three-dimensional network.

| S-EPMC3247360 | biostudies-literature

1-[(Biphenyl-4-yl)(phen-yl)meth-yl]-1H-imidazole (bifonazole).

Project description:In the title compound, C(22)H(18)N(2), the dihedral angles formed by the imidazole ring with the phenyl ring and the benzene ring of the biphenyl group are 87.02?(5) and 78.20?(4)°, respectively. In the crystal, mol-ecules inter-act through inter-molecular C-H?N hydrogen bonds, forming chains parallel to the b axis. These chains are further linked into a three-dimensional network by C-H?? stacking inter-actions.

| S-EPMC2983152 | biostudies-literature

(Biphenyl-4-yl)[2-(4-methyl-benzo-yl)phen-yl]methanone.

Project description:In the title compound, C(27)H(20)O(2), the central benzene ring makes dihedral angles of 64.86 (7) and 70.35 (7)° with the methyl-substituted ring and the biphenyl ring system, respectively. The crystal packing is stabilized by inter-molecular C-H⋯O inter-actions, which link the mol-ecules into chains parallel to the b axis.

| S-EPMC3238933 | biostudies-literature

2-[(4-Formyl-phen-yl)(hy-droxy)meth-yl]acrylonitrile.

Project description:In the title compound, C(11)H(9)NO(2), the mean planes formed by the phenyl and acryl group are almost orthogonal to each other, with a dihedral angle of 88.61?(7)°. The carbonitrile side chain is almost linear, the C-C-N angle being 179.54?(16)°. In the crystal, mol-ecules are linked by inter-molecular O-H?O inter-actions into infinite chains running parallel to the b axis.

| S-EPMC3213610 | 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