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1,5-Bis(4-chloro-phen-yl)-3-(2-thien-yl)pentane-1,5-dione.

ABSTRACT: In the title mol-ecule, C(21)H(16)Cl(2)O(2)S, the five-membered ring is rotationally disordered between two orientations in a 1:1 ratio. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds link mol-ecules related by translation along the a axis into chains, which are further combined into layers parallel to the bc plane via C-H⋯π inter-actions. The crystal studied was a racemic twin with a 0.37 (19):0.63 (19) domain ratio.

SUBMITTER: Huang X

PROVIDER: S-EPMC2959928 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1,5-Bis(4-chloro-phen-yl)-3-(4-methyl-phen-yl)pentane-1,5-dione.

Project description:In the title mol-ecule, C24H20Cl2O2, the central methyl-benzene ring forms dihedral angles of 42.47?(10) and 34.34?(10)° with the terminal 4-chloro-phenyl fragments. The dihedral angle between the chloro-benzene rings is 34.45?(11)°. A weak intra-molecular C-H?O inter-action generates an S(6) ring motif. The crystal packing exhibits weak C-H?O hydrogen bonds and C-H?? inter-actions.

| S-EPMC3790380 | biostudies-literature

1,5-Bis(4-chloro-phen-yl)-3-[4-(dimethyl-amino)phen-yl]pentane-1,5-dione.

Project description:In the title mol-ecule, C(25)H(23)Cl(2)NO(2), the central benzene ring forms dihedral angles of 81.88?(7) and 89.22?(7)° with the two 4-chloro-phenyl fragments. The crystal packing exhibits weak inter-molecular C-H?O hydrogen bonds and ?-? inter-actions [centroid-centroid distance 3.724?(3)?Å].

| S-EPMC2968596 | biostudies-literature

1,5-Bis(thio-phen-2-yl)-3-(2,4,5-trimeth-oxy-phen-yl)pentane-1,5-dione.

Project description:In the title 1,5-diketone compound, C(22)H(22)O(5)S(2), the benzene ring makes dihedral angles of 41.51 (6) and 25.83 (6)° with the two thio-phene rings, while the dihedral angle between the thio-phene rings is 26.67 (7)°. An intra-molecular C-H⋯O inter-action generates an S(9) ring motif. In the crystal, mol-ecules are linked into a three-dimensional network by weak C-H⋯O and C-H⋯π inter-actions, and a π-π inter-action with a centroid-centroid distance of 3.6527 (8) Å.

| S-EPMC3239053 | biostudies-literature

3-(4-Hy-droxy-phen-yl)-1,5-bis-(pyridin-2-yl)pentane-1,5-dione.

Project description:In the title mol-ecule, C21H18N2O3, the pyridine rings make a dihedral angle of 13.1?(1)°. The phenyl ring is approximately perpendicular to both of them, forming dihedral angles of 87.4?(1)and 81.9?(1)°. In the crystal, pairs of O-H?N hydrogen bonds link the mol-ecules into centrosymmetric dimers. Additional C-H?O, ?-? [centroid-centroid distance = 3.971?(2)?Å] and C-H?? inter-actions consolidate the dimers into a three-dimensional network.

| S-EPMC3790437 | biostudies-literature

1,5-Bis(4-bromo-phen-yl)-3-phenyl-pentane-1,5-dione.

Project description:The asymmetric unit of the title compound, C(23)H(18)Br(2)O(2), contains two independent mol-ecules with slightly different conformations. In the absence of classical inter-molecular inter-actions, the crystal packing is stabilized by van der Waals forces.

| S-EPMC2960541 | biostudies-other

3-(4-Chloro-phen-yl)-1-cyclo-propyl-2-(2-fluoro-phen-yl)-5-phenyl-pentane-1,5-dione.

Project description:In the title compound, C26H22ClFO2, the cyclo-propane ring is disordered over two orientations, with site-occupancy factors of 0.64 (2) and 0.36 (2). The major occupancy component of the cyclo-propane ring makes dihedral angles of 47.6 (7), 50.4 (7) and 65.4 (7)° with the fluoro-, chloro- and unsubstituted benzene rings, respectively [the corresponding values for the minor occupancy component are 47.6 (12), 51.0 (12) and 60.9 (12)°]. An intra-molecular C-H⋯O hydrogen bond occurs. The F and Cl atoms deviate by 0.0508 (12) and 0.0592 (7) Å from the planes of their attached benzene rings. In the crystal, C-H⋯F hydrogen bonds link the mol-ecules into chains along the b-axis direction.

| S-EPMC3648332 | biostudies-literature

5-(4-Chloro-phen-yl)-1-cyclo-propyl-2-(2-fluoro-phen-yl)-3-phenyl-pentane-1,5-dione.

Project description:In the title compound, C(26)H(22)ClFO(2), the cyclo-propane ring makes dihedral angles of 45.7 (2), 49.0 (2) and 65.2 (2)° with the fluoro-substituted phenyl ring, the benzene ring and the chloro-substituted phenyl ring, respectively. The F and Cl atoms deviate by 0.0307 (11) and 0.0652 (6) Å, respectively, from the planes of the phenyl rings to which they are attached. In the crystal, mol-ecules are linked by C-H⋯F hydrogen bonds, forming chains along the b axis.

| S-EPMC3569784 | biostudies-literature

3-(3-Bromo-4-methoxy-phen-yl)-1,5-diphenyl-pentane-1,5-dione.

Project description:In the title compound, C(24)H(21)BrO(3), the central bromo-methoxy-benzene ring forms dihedral angles of 63.6?(1) and 60.3?(1)° with the terminal phenyl rings, while the angle between the two phenyl rings is 25.8?(1)°. The crystal structure is stabilized by weak C-H?Br and C-H?O hydrogen bonds, and C-H?? and ?-? stacking [centroid-centroid distance = 3.910?(3)?Å] inter-actions.

| S-EPMC2984057 | biostudies-literature

1-Cyclo-propyl-2-(2-fluoro-phen-yl)-5-(4-fluoro-phen-yl)-3-phenyl-pentane-1,5-dione.

Project description:In the title compound, C(26)H(22)F(2)O(2), the cyclo-propane ring makes dihedral angles of 47.6?(2), 51.3?(2) and 63.9?(2)° with the 2-fluoro-substituted phenyl ring, the unsubstituted phenyl ring and the 4-fluoro-substituted phenyl ring, respectively. There is a short C-H?F contact in the molecule. In the crystal, weak C-H?F hydrogen bonds lead to chains of mol-ecules extending along the b-axis direction.

| S-EPMC3569750 | biostudies-literature

1,4-Bis(4-chloro-phen-yl)butane-1,4-dione.

Project description:The mol-ecule of title compound, C(16)H(12)Cl(2)O(2), is centrosymmetric. Thus, the asymmetric unit comprises two half-mol-ecules. The two benzene rings are coplanar in each independent molecule (dihedral angles = 0°). The crystal packing exhibits inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions.

| S-EPMC2959836 | biostudies-literature

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