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Prop-2-yn-1-yl 4,6-di-O-acetyl-2,3-dide-oxy-α-d-erythro-hex-2-enopyran-o-side.

ABSTRACT: The absolute structure of the title compound, C(13)H(16)O(6), was determined. The pyranosyl ring adopting an envelope conformation. The acetyl groups are located in equatorial positions. The crystal structure features weak C-H⋯O inter-actions.

SUBMITTER: Mesfin FM

PROVIDER: S-EPMC3238960 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Phenyl 4,6-di-O-acetyl-2,3-dide-oxy-1-thio-?-d-erythro-hex-2-enopyran-oside.

Project description:The pyranosyl ring in the title compound, C(16)H(18)O(5)S, adopts an envelope conformation, with the acetyl groups in equatorial positions. In the crystal, weak C-H?O inter-actions link the molecules into chains.

| S-EPMC3247579 | biostudies-literature

(-)-Benzyl 2,3-dide-oxy-?-d-erythro-hex-2-eno-pyran-oside.

Project description:In the title compound, C13H16O4, the six-membered ring of the sugar moiety shows a half-chair conformation. In the crystal, mol-ecules are connected via O-H?O hydrogen bonds, forming columns around twofold screw axes along the b-axis direction. There is a disorder of the benz-yloxy group, which has two possible orientations with the phenyl group lying on a common plane [site-occupancy factors = 0.589?(9) and 0.411?(9)].

| S-EPMC4004438 | biostudies-literature

2,3-Bis(prop-2-yn-yloxy)naphthalene.

Project description:In the crystal structure of the title compound, C(16)H(12)O(2), no classical hydrogen bonds or aromatic π-π stacking inter-actions were observed. The mol-ecules are linked into a three-dimensional framework by a combination of C-H⋯O and C-H⋯π(arene) hydrogen bonds.

| S-EPMC2960027 | biostudies-literature

1-(Prop-2-yn-yl)indoline-2,3-dione.

Project description:The structure of the title compound, C11H7NO2, is isotypic to that of its homologue, 1-octylindoline-2,3-dione [Qachchachi et al. (2013 ▶). Acta Cryst. E69, o1801]. The indoline ring and the two carbonyl O atoms are approximately coplanar, the largest deviation from the mean plane being 0.021 (1) Å for one of the O atoms. The mean plane through the fused ring system is nearly perpendicular to the propynyl group, as indicated by the N-C-C-C torsion angle of 77.9 (1)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds and π-π inter-actions between benzene rings [inter-centroid distance = 3.5630 (10) Å], forming a three-dimensional structure.

| S-EPMC3998508 | biostudies-literature

4-(Prop-2-yn-1-yl-oxy)benzaldehyde.

Project description:In the title mol-ecule, C10H8O2, all non-H atoms are essentailly coplanar (r.m.s. deviation = 0.0192?Å), indicating an effective conjugation of the carbonyl group, the benzene ring and the lone pair of the propyn-yloxy O atom. In the crystal, ?-? stacking inter-actions [centroid-centroid distance = 3.5585?(15)?Å] connect mol-ecules into inversion dimers which are linked by Csp-H?O=C hydrogen bonds, forming a ladder-like structure.

| S-EPMC3588297 | biostudies-literature

2,4-Bis[(prop-2-yn-yl)-oxy]benzaldehyde.

Project description:In the title compound, C(13)H(10)O(3), two prop-2-yn-yloxy groups are attached to the benzaldehyde ring at positions 2 and 6. The crystal packing features C-H⋯O inter-actions.

| S-EPMC3414921 | biostudies-literature

3-(Prop-2-yn-1-yl-oxy)phthalo-nitrile.

Project description:In the title compound, C11H6N2O {systematic name: 3-(prop-2-yn-1-yl-oxy)benzene-1,2-dicarbo-nitrile}, the 14 non-H atoms are approximately coplanar (r.m.s. deviation = 0.051 Å) with the terminal ethyne group being syn with the adjacent cyano residue. In the crystal, centrosymmetric dimers are connected by pairs of C-H⋯N inter-actions and these are linked into a supra-molecular tape parallel to (1-30) via C-H⋯N inter-actions involving the same N atom as acceptor.

| S-EPMC3770356 | biostudies-literature

4-(Prop-2-yn-1-yl-oxy)benzene-1,2-dicarbonitrile.

Project description:In the title compound, C(11)H(6)N(2)O, the complete mol-ecule is generated by the application of crystallographic twofold symmetry (the mol-ecule is disordered about this axis). The prop-2-yn-1-yl residue is slightly twisted out of the plane of the benzene ring [C-O-C-C torsion angle = 173.1?(3)°] and is orientated away from the nitrile substituents. In the crystal, supra-molecular chains along the a axis, arising from C-H?N inter-actions, are connected into stacks along the c axis by ?-? inter-actions between the benzene rings [centroid-centroid distance = 3.6978?(6)?Å = length of the c axis].

| S-EPMC3394070 | biostudies-literature

3-(Benzothia-zol-2-yl)-3-(prop-2-yn-yl)hex-5-yn-2-one.

Project description:The title compound, C(16)H(13)NOS, was prepared by alkyl-ation of 1-(benzothia-zol-2-yl)propan-2-one with propargyl bromide. The asymmetric unit contains two mol-ecules that are crystallographically independent but linked to each other by non-classical C-H?O hydrogen bonds, building up a dimeric substructure. The benzothia-zole rings are essentially planar with maximum deviations of 0.005?(1) and 0.007?(2)?Å for the N atoms. Although the two mol-ecules have similar bond distances and angles, they slightly differ in the orientation of the benzothia-zole ring with respect to the two propargyl groups and the acetonyl unit . In the crystal, inter-molecular C-H?O inter-actions link the dimeric subunits into a two-dimensional array in the bc plane.

| S-EPMC2983859 | biostudies-other

Methyl 2,2-diphenyl-2-(prop-2-yn-1-yl-oxy)acetate.

Project description:The mol-ecular structure of the title compound, C(18)H(16)O(3), exhibits a new R(2)-C(COOMe)(OCH(2)CCH) group. The C-O-C-C torsion angle is 153.3 (1)°. The dihedral angles are 79.89 (5)° between phen-yl/phenyl planes, and 73.13 (5) and 79.05 (8)° for the two COOMe/phenyl plane pairs.

| S-EPMC3297924 | biostudies-literature

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