2-Isopropyl-4-methoxy-5-methylphenyl benzoate (original) (raw)

Crystal structure of 2-(di-phenyl-phos-phanyl)phenyl 4-(hy-droxy-meth-yl)benzoate

Acta crystallographica. Section E, Structure reports online, 2014

The title compound, C26H21O3P, was obtained as by-product due to the hydrolysis of the desired tosyl-ated compound. The dihedral angles between the three aromatic rings attached to the P atom lie in the range 78.1 (1)-87.6 (1)°. The hy-droxy-methyl group is disordered between two conformations in a 0.719 (9):0.281 (9) ratio. The hy-droxy H atom is not involved in inter-molecular inter-actions, while the hy-droxy O atom serves as a donor for weak C-H⋯O hydrogen bonds, which link the mol-ecules into chains propagating in [0-11].

Crystal structure of 5-benzoylamino-5-isopropyl-4-oxo-1,3-dioxane

1986

CI4H17NO 4 crystallizes in the monoclinic sopace group P21/n (Z = 4) with a = 10.208(2), b = 10.888(2), c = 11.909(2) A, and/3 = 90.89(2) ~ The structure was solved by direct methods and refined by full-matrix LSQ to an R factor of 0.036. The 4-oxo-l,3-dioxane ring is in a slightly distorted O(1)-sofa conformation flattened at the C(4) end with the 5-isopropyl substituent in a pseudoaxial position and planar lactone group. The molecules form dimers by means of intermolecular N-H 9 9 9 0(4) hydrogen bonds of 3.091(2) ~_. The 1H NMR spectrum of the title compound shows unusual features.

2-Benzoyl-4-chlorophenyl benzoate

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Crystal structure of {[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl}dimethylammonium benzoate

Acta Crystallographica Section E Crystallographic Communications, 2015

The title compound, C16H26NO2+·C7H5O2−, is a benzoate salt of the painkiller Tramadol. The six-membered cyclohexane ring of the cation adopts a slightly distorted chair conformation and carries OH and 3-methoxyphenyl substituents at the 2-position and a protonated methylazaniumylmethyl group at the 3-position. In addition, a weak intramolecular C—H...O hydrogen bond is observed in the cation. In the crystal, weak O—H...O, N—H...O and C—H...O hydrogen bonds link the components into chains along [010]. A C—H...π contact is also observed.

Crystal structure and Hirshfeld surface analysis of 2-(4-nitrophenyl)-2-oxoethyl benzoate

Acta Crystallographica Section E Crystallographic Communications, 2019

The title compound, C15H11NO5, is relatively planar, with the planes of the two aromatic rings being inclined to each other by 3.09 (5)°. In the crystal, molecules are linked by a pair of C—H...O hydrogen bonds, forming inversion dimers, which enclose an R 2 2(16) ring motif. The dimers are linked by a further pair of C—H...O hydrogen-bonds forming ribbons enclosing R 4 4(26) ring motifs. The ribbons are linked by offset π–π interactions [centroid–centroid distances = 3.6754 (6)–3.7519 (6) Å] to form layers parallel to the ac plane. Through Hirshfeld surface analyses, the d norm surfaces, electrostatic potential and two-dimensional fingerprint (FP) plots were examined to verify the contributions of the different intermolecular contacts within the supramolecular structure. The shape-index surface shows that two sides of the molecule are involved with the same contacts in neighbouring molecules, and the curvedness plot shows flat surface patches that are characteristic of planar stack...

Crystal structure of ethyl 4-[(4-methylbenzyl)oxy]benzoate

Acta Crystallographica Section E: Crystallographic Communications, 2022

The title compound, C 17 H 18 O 3 , crystallizes with three molecules in the asymmetric unit. The molecules differ in the conformation related to the ethoxy group and in the orientation of the two phenyl rings, one of which has the ethoxy group disordered over two positions with refined occupancies of 0.735:0.265 (9). In the crystal packing, the molecules are connected by weak C-HÁ Á Á interactions.

Crystal stucture of methyl 2-({[2-(methoxycarbonyl)phenyl]carbamoyl}amino)benzoate

Acta Crystallographica Section E Crystallographic Communications, 2015

In the title compound, C 17 H 16 N 2 O 5 , the dihedral angles between the central urea [N-C( O)-N] fragment and its attached benzene rings are 20.20 (14) and 24.24 (13) ; the dihedral angle between the aromatic rings is 42.1 (1) . The molecular conformation is consolidated by two intramolecular N-HÁ Á ÁO hydrogen bonds, which both generate S(6) rings. In the crystal, inversion dimers linked by pairs of C-HÁ Á ÁO interactions generate R 2 2 (14) loops. The dimers are linked by further C-HÁ Á ÁO interactions into (011) sheets.