Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-(3-Nitrophenyl)-1-[4-(prop-2-ynyloxy)phenyl]prop-2-en-1-one

ABSTRACT: The molecule of the title compound is almost planar but with a dihedral angle between the two phenyl rings of 19.22 (5)°. In the crystal, molecules are linked by C—H⋯O interactions, forming sheets in the (21 The structure of the title compound, C18H13NO4, shows that the whole molecule is almost planar but with a dihedral angle between the two phenyl rings of 19.22 (5)°. The molecules are linked by C—H⋯O interactions, forming sheets in the (21

SUBMITTER: Vinaya

PROVIDER: S-EPMC9638063 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

N-[4-(Prop-2-yn-yloxy)phen-yl]maleimide.

Project description:In the title compound, C(13)H(9)NO(3), the dihedral angle between the benzene and maleimide rings is 64.1 (2)°. In the crystal structure, mol-ecules interact via C-H⋯O inter-actions.

| S-EPMC2967977 | biostudies-literature

Crystal structure of (Z)-3-[5-chloro-2-(prop-2-yn-yloxy)phen-yl]-3-hy-droxy-1-[4-(tri-fluoro-meth-yl)phen-yl]-prop-2-en-1-one.

Project description:The title compound, C19H12ClF3O3, obtained by the photochemical transformation of 2-[5-chloro-2-(prop-2-yn-yloxy)benzo-yl]-3-[4-(tri-fluoro-meth-yl)phen-yl]oxirane adopts a Z conformation with respect to the enolic C=C double bond. The dihedral angle between the benzene rings is 12.25 (16)° and an intra-molecular O-H⋯O hydrogen bond closes an S(6) ring. An intra-molecular C-H⋯O inter-action also leads to an S(6) ring. In the crystal, very weak C-H⋯O inter-actions and short Cl⋯Cl contacts [3.3221 (16) Å] are seen, as well as weak aromatic π-π stacking inter-actions [centroid-centroid separation = 3.879 (2) Å].

| S-EPMC4571394 | biostudies-literature

(E)-1-[4-(Prop-2-yn-1-yl-oxy)phen-yl]-3-(3,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:The mol-ecule of the title chalcone derivative, C(21)H(20)O(5), consists of two substituted aromatic rings bridged by a prop-2-en-1-one group. The dihedral angle between the two benzene rings is 28.7 (7)°. In the crystal, mol-ecules are linked into C(10) chains running along the a axis by inter-molecular C-H⋯O hydrogen bonds, and the chains are cross-linked via C-H⋯π inter-actions.

| S-EPMC3007858 | biostudies-literature

(E)-3-[4-(Hex-yloxy)phen-yl]-1-(2-hydroxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(21)H(24)O(3), the conformation of the enone group is s-cis. The benzene rings are inclined at an angle of 7.9 (1)°. The alk-oxy tail is planar, with a maximum deviation from the least-squares plane of 0.009 (2) Å, and adopts a trans conformation throughout. An intra-molecular O-H⋯O inter-action between the keto and hydr-oxy groups forms S(6) ring motifs. In the crystal, mol-ecules are arranged in a head-to-tail manner down the a axis and are subsequently stacked along the b axis, forming mol-ecular sheets parallel to the ab plane. The crystal structure is further stabilized by weak C-H⋯π inter-actions and short C⋯O [3.376 (2) Å] contacts.

| S-EPMC2969631 | biostudies-literature

(E)-3-[4-(Hex-yloxy)phen-yl]-1-(4-hydroxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(21)H(24)O(3), the enone group adopts an s-cis conformation. The planes of the aromatic rings are inclined at an angle of 6.1 (1)°. The alk-oxy tail is not linear, with the maximum deviation from the least-squares plane being 0.375 (2) Å. Mol-ecules are connected into extended chains along the a axis through O-H⋯O(carbon-yl) hydrogen bonds and are inter-linked via C-H⋯O inter-actions to form a two-dimensional array parallel to the ab plane.

| S-EPMC2969694 | biostudies-literature

(E)-3-[4-(Dec-yloxy)phen-yl]-1-(4-hydroxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(25)H(32)O(3), the enone group adopts an s-cis conformation. The alk-oxy unit is nearly planar and is in a trans conformation. The two benzene rings make a dihedral angle of 18.87 (9)°. In the crystal structure, mol-ecules are linked into chains running along the a axis by inter-molecular O-H⋯O hydrogen bonds involving the hydr-oxy and keto groups. The chains are crosslinked along the b axis via C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to the ab plane.

| S-EPMC2977771 | biostudies-literature

(E)-3-[4-(Dodec-yloxy)phen-yl]-1-(2-hydroxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(27)H(36)O(3), the asymmetric unit consists of two crystallographically independent mol-ecules. The aromatic rings form dihedral angles of 17.1 (2) and 17.6 (2)° in the two molecules. In both mol-ecules, the enone groups adopt an s-cis conformation and the alkoxyl chains are in trans conformations curving out of the zigzag plane. Intra-molecular O-H⋯O hydrogen bonds involving the keto and hydr-oxy groups generate S(6) ring motifs. The mol-ecules are stacked alternately in a head-to-tail fashion along the a axis and the crystal structure is stabilized by weak C-H⋯π inter-actions. The crystal studied was a non-merohedral twin, the ratio of components being 0.788 (2):0.212 (2).

| S-EPMC2977806 | biostudies-literature

9,9-Bis[4-(prop-2-yn-yloxy)phen-yl]-9H-fluorene.

Project description:In the title compound, C(31)H(22)O(2), the bond angle at the C atom belonging to the five-membered ring of the fluorene system is opened to 112.64 (12)°. The two benzene rings are twisted with respect to the fluorene ring system at dihedral angles of 72.81 (6) and 81.83 (6)°. One C(ar-yl)-O-C-C fragment is extended, with a C-O-C-C torsion angle of -178.77 (13)°, but the other C(ar-yl)-O-C-C fragment is bent, with a C-O-C-C torsion angle of 64.78 (19)°. Inter-molecular weak C-H⋯O hydrogen bonding is present in the crystal structure.

| S-EPMC3007235 | biostudies-literature

(E)-3-(4-Fluoro-phen-yl)-1-(2-nitro-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(15)H(10)F(N)O(3), was prepared from 2-nitro-acetphenone and 4-fluoro-benzaldehyde by an Aldol condensation reaction. The dihedral angle formed by the two benzene rings is 67.37 (2)°. The crystal structure is stabilized by weak inter-molecular C-H⋯O and C-H⋯F hydrogen bonds.

| S-EPMC2979392 | biostudies-literature

(E)-3-(2-Chloro-phen-yl)-1-(4-nitro-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(15)H(10)ClNO(3), a substituted chalcone, the 2-chloro-phenyl and 4-nitro-phenyl rings make a dihedral angle of 26.48 (6)°. The nitro group makes a dihedral angle of 11.64 (7)° with the plane of the benzene ring to which it is bound. Weak intra-molecular C-H⋯O and C-H⋯Cl inter-actions involving the enone groups generate S(5) ring motifs, which help to stabilize the planarity of the 3-(2-chloro-phen-yl)prop-2-en-1-one segment of the mol-ecule. In the crystal structure, adjacent mol-ecules are stacked in a head-to-tail fashion into columns along the a axis by π-π inter-actions [centroid-centroid distance = 3.6955 (8) Å]. Neighbouring columns are linked by weak C-H⋯O inter-actions.

| S-EPMC2961413 | biostudies-literature