Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-2-[(2-Formyl-phen-oxy)meth-yl]-3-(4-methyl-phen-yl)prop-2-ene-nitrile.

ABSTRACT: In the title compound, C(18)H(15)NO(2), the dihedral angle between the two benzene rings is 74.8?(1)°. The carbonitrile chain is almost linear, the C-C-N angle being 176.2?(2)°. In the crystal, ?-? inter-actions [centroid-centroid distance = 3.842?(1)?Å] are observed.

SUBMITTER: Manikandan N

PROVIDER: S-EPMC3254392 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-2-[(2-Formyl-phen-oxy)meth-yl]-3-(4-methyl-phen-yl)prop-2-ene-nitrile.

Manikandan N N Murugavel S S Kannan D D Bakthadoss M M

Acta crystallographica. Section E, Structure reports online 20111207 Pt 1

In the title compound, C(18)H(15)NO(2), the dihedral angle between the two benzene rings is 74.8 (1)°. The carbonitrile chain is almost linear, the C-C-N angle being 176.2 (2)°. In the crystal, π-π inter-actions [centroid-centroid distance = 3.842 (1) Å] are observed. ...[more]

PMID: 22259533

Similar Datasets

(E)-2-(2-Formyl-phen-oxy-meth-yl)-3-phenyl-prop-2-ene-nitrile.

Project description:In the title compound, C(17)H(13)NO(2), the dihedral angle between the benzene and the phenyl ring is 65.92?(7)°. The carbonitrile side chain is almost linear, the C-C-N angle being 175.55?(14)°. The crystal structure is stabilized by inter-molecular C-H?O inter-actions.

| S-EPMC3213455 | biostudies-literature

(2Z)-2-{[N-(2-Formyl-phen-yl)-4-methyl-benzene-sulfonamido]-meth-yl}-3-(4-methyl-phen-yl)prop-2-ene-nitrile.

Project description:In the title compound, C(25)H(22)N(2)O(3)S, the sulfonyl-bound benzene ring forms dihedral angles of 36.8?(2) and 81.4?(2)°, respectively, with the formyl-benzene and methyl-benzene rings. The mol-ecular conformation is stabilized by an intra-molecular C-H?O hydrogen bond, which generates an S(5) ring motif. The crystal packing is stabilized by C-H?O hydrogen bonds, which generate C(11) chains along the b axis. The crystal packing is further stabilized by ?-? inter-actions [centroid-centroid distance = 3.927?(2)?Å].

| S-EPMC3344039 | biostudies-literature

(Z)-3-(4-Chloro-phen-yl)-2-{[N-(2-formyl-phen-yl)-4-methyl-benzene-sulfonamido]-meth-yl}prop-2-ene-nitrile.

Project description:In the title compound, C(24)H(19)ClN(2)O(3)S, the sulfonyl-bound benzene ring forms dihedral angles of 38.1?(2) and 81.2?(1)°, respectively, with the formyl benzene and benzene rings. The mol-ecular conformation is stabilized by a weak intra-molecular C-H?O hydrogen bond, which generates an S(5) ring motif. The crystal packing is stabilized by C-H?O hydrogen bonds, which generate C(7) zigzag chains along [010] and R(3) (3)(19) ring motifs along [010]. The crystal packing is further stabilized by C-Cl?? inter-actions [Cl?centroid = 3.456?(2)?Å and C-Cl?centroid = 173.4?(2)°].

| S-EPMC3254413 | biostudies-literature

(E)-3-(2-Chloro-phen-yl)-2-[(2-formylphen-oxy)meth-yl]prop-2-ene-nitrile.

Project description:In the title compound, C(17)H(12)ClNO(2), the dihedral angle between the two benzene rings is 42.9 (1)°. There are no sgnificant inter-molecular inter-actions.

| S-EPMC3343916 | biostudies-literature

Methyl (2Z)-2-[(2-formyl-3-methyl-1H-indol-1-yl)meth-yl]-3-(4-meth-oxy-phen-yl)prop-2-enoate.

Project description:In the title indole derivative, C22H21NO4, the dihedral angle between the benzene and pyrrole rings of indole moiety is 1.8?(1)°. The plane of the 4-meth-oxy-phenyl ring is oriented with a dihedral angle of 60.7?(1)° with respect to the plane of the indole moiety. The mol-ecular packing is stabilized by C-H?O hydrogen bonds which form a V-shaped chain arrangement along the bc plane of the unit cell. In addition to this, C-H?? and ?-? inter-actions [centroid-centroid distances = 3.8102?(11) and 3.8803(12)?Å], which run along the b-axis direction, stabilize the mol-ecular packing.

| S-EPMC3998543 | biostudies-literature

Crystal structure of methyl (2Z)-2-{[N-(2-formyl-phen-yl)-4-methyl-benzene-sulfonamido]-meth-yl}-3-(4-meth-oxy-phen-yl)prop-2-enoate.

Project description:In the title compound, C26H25NO6S, the S atom shows a distorted tetra-hedral geometry, with O-S-O [119.46?(9)°] and N-S-C [107.16?(7)°] angles deviating from ideal tetra-hedral values, a fact attributed to the Thorpe-Ingold effect. The sulfonyl-bound phenyl ring forms dihedral angles of 41.1?(1) and 83.3?(1)°, respectively, with the formyl-phenyl and phenyl rings. The dihedral angle between formyl-phenyl and phenyl rings is 47.6?(1)°. The crystal packing features C-H?O hydrogen-bond inter-actions.

| S-EPMC4719993 | biostudies-literature

trans-3-(3,4-Dimeth-oxy-phen-yl)-2-(4-nitro-phen-yl)prop-2-ene-nitrile.

Project description:The asymmetric unit of the title compound, C(17)H(14)N(2)O(4), contains two independent mol-ecules in which the benzene rings are in a trans arrangement with respect to the C=C double bond and the rings are inclined by 4.3?(1) and 22.1?(1)° with respect to each other.

| S-EPMC3006740 | biostudies-literature

(E)-Methyl 2-[(2-formyl-6-meth-oxy-phen-oxy)meth-yl]-3-phenyl-acrylate.

Project description:The title compound, C(19)H(18)O(5), crystallizes with two independent mol-ecules (A and B) in an asymmetric unit in both of which the two aromatic rings are in a bis-ectional orientation as evidenced by the dihedral angle between them [41.7?(1)° in mol-ecule A and 35.6?(1)° in mol-ecule B]. Both mol-ecules adopt an E configuration with respect to the C=C bond. An intra-molecular C-H?O hydrogen-bond occurs in mol-ecule A. The crystal packing features inter-molecular C-H?O inter-actions.

| S-EPMC3254561 | biostudies-literature

(Z)-Methyl 3-(2,4-dichloro-phen-yl)-2-[(2-formyl-phen-oxy)meth-yl]acrylate.

Project description:In the title compound, C(18)H(14)Cl(2)O(4), the mean planes of the methyl acrylate unit and the phenyl ring of the benzaldehyde are approximately orthogonal to each other, making a dihedral angle of 83.31?(6)°. The O atom of the aldehyde group is displaced significantly from the phenyl ring plane by 0.226?(2)?Å. The methyl acrylate group adopts an E conformation. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds generate R(2) (2)(24) loops.

| S-EPMC3201315 | biostudies-literature

2-[(Ferrocen-1-yl)(hy-droxy)meth-yl]prop-2-ene-nitrile.

Project description:In the title ferrocene derivative, [Fe(C5H5)(C9H8NO)], the dihedral angle between the ene-nitrile group and the substituted cyclo-penta-dienyl ring is 71.2?(1)°. The cyclopentadienyl rings of the ferrocene moiety are arranged in an eclipsed conformation. The hy-droxy group, and the corresponding methine H atom, are disordered over two sets of sites with site-occupancy factors of 0.744?(4) and 0.256?(4). An intra-molecular C-H?O close contact is observed. In the crystal, O-H?N hydrogen bonds form a C(6) chain along [100].

| S-EPMC3885001 | 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