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2-(2-Hy-droxy-propan-2-yl)-6-(prop-2-yn-yloxy)-1-benzofuran-3(2H)-one.

ABSTRACT: In the title compound, C14H14O4, the prop-2-yn-yloxy O-C-C C plane [maximum deviation = 0.0116 (12) Å] forms a dihedral angle of 78.44 (9)° with the benzofuran-3(2H)-one ring system. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds, forming a tape along the a-axis direction. C-H⋯O inter-actions are observed between the tapes.

SUBMITTER: Kinfe HH

PROVIDER: S-EPMC3588975 | biostudies-literature |

REPOSITORIES: biostudies-literature

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5-Hy-droxy-7-phenyl-5-(prop-2-yn-1-yl)-5,6-dihydro-1-benzofuran-2(4H)-one monohydrate.

Project description:In the title compound, C(17)H(14)O(3)·H(2)O, the six-membered ring, which adopts a half-chair conformation, makes a dihedral angle of 24.3?(2)° with the phenyl ring. In the crystal, the components are linked by O-H?O hydrogen bonds involving the water mol-ecule, and the hy-droxy and carbonyl groups of the organic compound. These inter-actions form a square-like supra-molecular synthon unit which propagates as chains parallel to the crystallographic b axis. A C-H?O interaction also occurs.

| S-EPMC3009225 | biostudies-literature

tert-Butyl N-(4-hy-droxy-benz-yl)-N-[4-(prop-2-yn-yloxy)benz-yl]carbamate.

Project description:In the crystal structure of the title compound, C(22)H(25)NO(4), inter-molecular O-H?O hydrogen bonds involving the hy-droxy group of the 4-(amimometh-yl)phenol fragment and the C=O group connect the mol-ecules into infinite chains along the c axis. Two C atoms of the propyne group are disordered over two sites with occupancy factors of 0.53?(2) and 0.47?(2).

| S-EPMC3201299 | 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

4-Hy-droxy-3-[(E)-3-phenyl-prop-2-eno-yl]-2H-chromen-2-one.

Project description:In the title mol-ecule, C(18)H(12)O(4), the phenyl ring is twisted by 23.2?(1)° from the mean plane of the chromene system. In the crystal, weak inter-molecular C-H?O hydrogen bonds link mol-ecules into zigzag chains extending in the [010] direction. An intra-molecular O-H?O hydrogen bond is also present.

| S-EPMC3213638 | biostudies-literature

2-Hy-droxy-4-(prop-2-yn-yloxy)benz-alde-hyde.

Project description:The asymmetric unit of the title compound, C10H8O3, contains two independent mol-ecules, both of which are almost planar (r.m.s deviations for all non-H atoms of 0.044 and 0.053?Å). The dihedral angles between the benzene ring and the prop-1-yne group are 3.47?(1) and 3.07?(1)° in the two mol-ecules, and the prop-1-yne groups adopt extended conformations. In each mol-ecule, an intra-molecular O-H?O hydrogen bond involving the OH and aldehyde substituents forms an S(6) ring. In the crystal, mol-ecules are linked into cyclic centrosymmetric dimers via C-H?O hydrogen bonds, generating R2(2)(14) ring motifs. The crystal structure is further stabilized by aromatic ?-? stacking inter-actions between the benzene rings [centroid-centroid distances = 3.813?(2) and 3.843?(2)?Å].

| S-EPMC3588223 | biostudies-other

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

Project description:In the title compound, C(21)H(24)O(3), the enone moiety adopts an s-cis conformation and the dihedral angle between the benzene rings is 12.89?(6)°. The hex-yloxy tail adopts an extended conformation. In the crystal, inversion dimers are linked by pairs of O-H?O hydrogen bonds and pairs of C-H?O inter-actions, forming two R(2) (2)(7) and one R(2) (2)(10) loops. The dimers are then arranged into sheets lying parallel to (201) and weak C-H?? inter-actions consolidate the packing.

| S-EPMC3470257 | biostudies-literature

(2E)-3-[3-(Benz-yloxy)phen-yl]-1-(2-hy-droxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(22)H(18)O(3), an intra-molecular O-H?O hydrogen bond stabilizes the mol-ecular structure, forming an S(6) ring motif. The central benzene ring forms a dihedral angle of 64.74?(5)° with the phenyl ring and a dihedral angle of 5.58?(5)° with the terminal benzene ring. In the crystal, mol-ecules are linked into columns along the a axis via inter-molecular C-H?O hydrogen bonds. C-H?? inter-actions involving the centroid of the hy-droxy-substituted benzene ring further stabilize the crystal structure.

| S-EPMC3120523 | biostudies-literature

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

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(21)H(24)O(3), in which the dihedral angles between the aromatic rings are 6.4?(1) and 7.0?(1)°. The enone moiety of both mol-ecules adopts an s-cis configuration. In the crystal, inter-molecular O-H?O and C-H?O inter-actions to the same acceptor O atom generate R(2) (1)(6) ring motifs and further C-H?O inter-actions generate R(2) (2)(8) ring motifs. Topologically, the R(2) (1)(6) and R(2) (2)(8) ring motifs are arranged alternately, forming [001] chains of mol-ecules. The crystal structure is further stabilized by C-H?? inter-actions.

| S-EPMC3011598 | biostudies-literature

1-[2-Hy-droxy-4-(prop-2-yn-1-yl-oxy)phen-yl]ethanone.

Project description:In the title compound, C11H10O3, there is an intra-molecular O-H?O hydrogen bond generating an S(6) ring motif. The O atom of the hy-droxy group deviates by 0.0200?(1)?Å from the benzene ring to which it is attached. The propyne group is almost linear, the C-C C angle being 177.83?(15)°, and is almost coplanar with the benzene ring; the C-C-O-C torsion angle being only -1.1?(2)°. In the crystal, mol-ecules are linked via C-H?O hydrogen bonds, forming infinite C(11) chains running parallel to [103]. These chains are linked by a pair of C-H?O hydrogen bonds, enclosing R 2 (2)(8) inversion dimers, forming a corrugated two-dimensional network lying parallel to (103).

| S-EPMC3914071 | biostudies-literature

4-Hy-droxy-3-[(4-hy-droxy-2-oxo-2H-3-chromen-yl)(3-thien-yl)meth-yl]-2H-chromen-2-one.

Project description:The whole mol-ecule of the title compound, C(23)H(14)O(6)S, is disordered over two sets of sites with refined occupancies of 0.8733?(12):0.1267?(12). The dihedral angle between the mean planes through the chromene ring systems is 56.31?(5) and 55.2?(3)° for the major and minor components, respectively. In both components, a pair of intra-molecular O-H?O inter-actions generate rings of S(8) graph-set motif. In the crystal, the mol-ecules are linked by inter-molecular C-H?O inter-actions, forming chains along the b axis. The structure is further stabilized by ?-? inter-actions with centroid-centroid distances of 3.594?(2) and 3.608?(5)?Å.

| S-EPMC3089123 | biostudies-literature

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