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

ABSTRACT: 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.

SUBMITTER: Esakkiammal M

PROVIDER: S-EPMC3414921 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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

1,4-Bis{4-[bis-(prop-2-yn-1-yl)amino]-phen-oxy}benzene.

Project description:The asymmetric unit of the title compound, C(30)H(24)N(2)O(2), contains two independent mol-ecules, which both lie on centers of inversion. The central phenyl-ene ring is inclined at 61.4 (2)° with respect to the flanking aromatic ring [dihedral angle = 70.7 (3)° in the second mol-ecule].

| S-EPMC3051971 | biostudies-literature

Bis[5-chloro-2-(prop-2-yn-1-yl-oxy)phen-yl]methane.

Project description:The mol-ecule of the title compound, C(19)H(14)Cl(2)O(2), has two benzene rings connected to a methyl-ene C atom, and the rings are aligned at 66.3?(1)°. Inter-molecular C-H?? and ?-? stacking inter-actions are observed in the crystal structure, the centroid-centroid distances between parallel benzene rings being 3.7529?(12) and 3.6201?(12)?Å, respectively.

| S-EPMC3051580 | biostudies-literature

(E,E)-1,2-Bis[4-(prop-2-yn-1-yl-oxy)benzyl-idene]hydrazine.

Project description:The mol-ecule of the title compound, C(20)H(16)N(2)O(2), is centrosymmetric with the mid-point of the central N-N bond located on an inversion center. The configuration around the C=N bond is E. The whole mol-ecule (except for the H atoms) is approximately planar, with an r.m.s. deviation of 0.07?Å. In the crystal, the presence of weak inter-molecular C-H?O hydrogen bonding involving each acetyl-ene H atom and the adjacent phen-oxy O atom results in the formation of supra-molecular chains.

| S-EPMC3247316 | biostudies-literature

1,6-Bis(prop-2-yn-1-yl-oxy)naphthalene.

Project description:The title compound, C(16)H(12)O(2), contains two prop-2-yn-1-yl-oxy groups attached to a naphthalene ring system at the 1- and 6-positions. The crystal packing includes an inter-molecular C-H?? inter-action between a terminal ethynyl H atom and an ethynyl group on a glide-related mol-ecule and another inter-action between an O-atom-linked methyl-ene H and an ethynyl group of a different glide-related mol-ecule.

| S-EPMC3213501 | biostudies-other

2,7-Bis(prop-2-yn-1-yl-oxy)naphthalene.

Project description:The title compound, C(16)H(12)O(2), was synthesized from naphthalene-2,7-diol and prop-2-ynyl 4-methyl-benzene-sulfonate in the presence of sodium hydride. The crystal packing exhibits inter-molecular non-classical C-H?O hydrogen bonds and C-H?? inter-actions.

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(E,E)-1,2-Bis[3-meth-oxy-4-(prop-2-yn-1-yl-oxy)benzyl-idene]hydrazine.

Project description:The complete mol-ecule in the title compound, C(22)H(20)N(2)O(4), is generated by the application of an inversion centre. With the exception of the terminal acetyl-ene groups [C-O-C-C = -78.02?(17)°], the remaining atoms constituting the mol-ecule are essentially coplanar. The configuration around the C=N bond [1.282?(2)?Å] is E. The formation of supra-molecular chains mediated by C-H?O inter-actions, occurring between methyl-ene H and meth-oxy O atoms, is the most notable feature of the crystal packing.

| S-EPMC3152067 | 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

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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