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The six-membered ring of the title compound, C11H16NO, has a distorted envelope conformation. The piperidine N atom deviates by 0.128 (1) Å from the plane through its three neighbouring atoms. In the crystal structure, molecules are connected by intermolecular Cethynyl-H...O contacts to form chains extending in the [10\overline{1}] direction. Key indicators: single-crystal X-ray study; T = 167 K; mean σ(C–C) = 0.001 Å ; R factor = 0.040; wR factor = 0.112; data-to-parameter ratio = 27.3.
Molecules of the title compound, C40H42BrNO6, are located on a crystallographic twofold rotation axis. As a result, the nitro group and bromine residue are mutually disordered with equal occupancies. The propoxy-substituted aromatic rings are close to parallel to each other [dihedral angle = 21.24 (1)°], whereas the propenoxy-substituted rings enclose a dihedral angle of 70.44 (1)°. The dihedral angles between the methylene C atoms and the aromatic rings shows that the propenoxy substituted rings are bent away from the calixarene cavity [dihedral angle between the planes = 35.22 (8)°], whereas the propoxy-substituted rings are almost perpendicular [79.38 (10)°] to the plane of the methylene C atoms. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.006 A° ; disorder in main residue; R factor = 0.065; wR factor = 0.130; data-to-parameter ratio = 11.8.
The asymmetric unit of the title compound, [K(C3H3N2)(C12H24O6)], is composed of a potassium cation bonded to the six O atoms of a crown ether molecule and the two N atoms of a pyrazolate anion. The K...O distances range from 2.8416 (8) to 3.0025 (8) Å, and the two K...N distances are 2.7441 (11) and 2.7654 (11) Å. The K cation is displaced by 0.8437 (4) Å from the best plane through the six O atoms. The latter plane is almost perpendicular to the plane of the pyrazolate ring [dihedral angle 83.93 (3)°]. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.002 A°; R factor = 0.026; wR factor = 0.066; data-to-parameter ratio = 16.5.
The title compound, C14H9Cl3N2OS, has bond lengths and angles which are quite typical for thiourea compounds of this class. The molecule exists in the solid state in its thione form with typical thiourea C=S and C=O bond lengths, as well as shortened C-N bonds. An intramolecular N-H...O hydrogen bond stabilizes the molecular conformation. Intermolecular N-H...S hydrogen bonds link the molecules to form centrosymmetric dimers. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.002 A° ; R factor = 0.029; wR factor = 0.078; data-to-parameter ratio = 17.2.
In the title compound, C30H34N2O6, the complete molecule is generated by a crystallographic 2/m symmetry operation. The 1-oxyl-3-pyrroline-3-carboxylate group lies on a mirror plane. The dihedral angle between the ring planes of the biphenyl fragment is constrained by symmetry to be zero, resulting in rather short intramolecular H...H contact distances of 2.02 Å. In the crystal, molecules are connected along the a-axis direction by very weak intermolecular methyl-phenyl C-H...[pi] interactions. The C-H bond is not directed to the center of the benzene ring, but mainly to one C atom [C-H...C(x - 1, y, z): H...C = 2.91 Å and C-H...C = 143°]. Key indicators: single-crystal X-ray study; T = 169 K; mean σC–C) = 0.002 Å ; R factor = 0.049; wR factor = 0.126; data-to-parameter ratio = 19.8.
The title compound, C14H20O3, is a synthetic analogue with a long aliphatic side chain of the important food additive and flavoring agent, vanillin. There are two independent molecules in the asymmetric unit, each having an essentially planar conformation (r.m.s. deviations of 0.023 and 0.051Å for all non-H atoms of the two molecules in the asymmetric unit). Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.002 A°; R factor = 0.049; wR factor = 0.144; data-to-parameter ratio = 15.9.
The title compound, C20H22O2, crystallizes with two independent molecules in the asymmetric unit. In each molecule, all the non-H atoms lie in a common plane (r.m.s. deviations of 0.098 and 0.079 Å). There is a [pi]-[pi] stacking interaction in the crystal structure. The central aromatic rings of the two molecules, which are stacked head-to-tail one above the other, are separated by centroid-to-centroid distances of 3.872 (13) and 3.999 (10) Å. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.003 A° ; R factor = 0.044; wR factor = 0.101; data-to-parameter ratio = 14.6.
In the title compound, C11H14O4, an intermediate for the synthesis of a new kind of estrogen receptor modulator, all non-H atoms lie on a common plane (r.m.s. deviation = 0.0472 Å). All C-C bonds in the side chain are in a trans conformation, and the hydroxyl group is also trans to the methylene chain. In the crystal structure, molecules form centrosymmetric dimers showing a head-to-head arrangement which is stabilized by O-H...O hydrogen bonds. A weak C-H...O contact is also present.
9,9-Dimethyl-9-silafluorene
(2009)
The title compound, C14H14Si, crystallizes with two almost identical molecules (r.m.s. deviation = 0.080 Å for all non-H atoms) in the asymmetric unit. All atoms of the silafluorene moiety lie in a common plane (r.m.s. deviations = 0.049 and 0.035 Å for the two molecules in the asymmetric unit). The Si-Cmethyl bonds are significantly shorter [1.865 (4)-1.868 (4) Å] than the Si-Caromatic bonds [1.882 (3)-1.892 (3) Å]. Owing to strain in the five-membered ring, the endocyclic C-Si-C angles are reduced to 91.05 (14) and 91.21 (14)°. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.005 A°; R factor = 0.061; wR factor = 0.157; data-to-parameter ratio = 16.3.
The complete molecule of the title compound, C18H24N2O2, is generated by a crystallographic inversion centre. The torsion angles in the hexamethylene chain are consistent with an antiperiplanar conformation, whereas the conformation of the O—CH2—CH2—CH2 unit is gauche. The three-dimensional crystal packing is stabilized by N—H⋯O and N—H⋯N hydrogen bonding.