48 research outputs found
Di-tert-Butyl 2,2′-[2,2′-methylenebis(naphthalene-2,1-diyldioxy)]diacetate
In the title compound, C33H36O6, two naphthalene ring systems are connected through a methylene linkage [C—C—C = 114.9 (2)°]; the ring systems are aligned at an angle of 76.5 (1)°. Of the two –O–CH2–C(=O)–C(CH3)3 substituents, one adopts an extended conformation whereas the other is U-shaped. In the crystal, molecules are linked via weak C—H⋯O hydrogen bonding, forming supramolecular chains running along the c axis
Bis[5-chloro-2-(prop-2-yn-1-yloxy)phenyl]methane
The molecule of the title compound, C19H14Cl2O2, has two benzene rings connected to a methylene C atom, and the rings are aligned at 66.3 (1)°. Intermolecular C—H⋯π and π–π stacking interactions are observed in the crystal structure, the centroid–centroid distances between parallel benzene rings being 3.7529 (12) and 3.6201 (12) Å, respectively
tert-Butyl 2-(4-nitrophenoxy)acetate
In the title molecule, C12H15NO5, the nitrophenoxy portion is approximately planar (r.m.s. deviation = 0.034 Å) and makes an angle of 84.8 (1)° with respect to the –CH2–C(=O)–O–C fragment. In the crystal, π–π stacking is observed between nearly parallel benzene rings of adjacent molecules, the centroid–centroid distance being 3.6806 (10) Å. Weak intermolecular C—H⋯O hydrogen bonding is present in the crystal structure
5,7-Dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one monohydrate
The title compound, C18H16O7·H2O, is a flavonoid isolated from Dodonaea viscosa. The benzopyran ring system of the flavonoid is essentially planar [maximum deviation = 0.025 (2) Å] and inclined at 5.83 (2)° to the attached benzene ring. The water of hydration is involved in extensive hydrogen bonding, assembling the molecules into a supramolecular network via classical intermolecular O—H⋯O hydrogen bonding. The crystal structure is further stabilized by π–π stacking interactions [centroid–centroid distance between benzene rings = 3.564 (3) Å]
6,7-Dihydro-3H-1,4-diazepino[1,2,3,4-lmn][1,10]phenanthroline-3,9(5H)-dione
In the title compound, C15H12N2O2, the seven-membered ring bearing the three methylene C atoms displays a puckered conformation, with the methylene C atoms deviating from the plane of the benzene ring by 0.05 (1), 0.98 (1) and 1.04 (1) Å. The phenanthroline unit is not planar; the dihedral angles between this benzene ring and the other pyridyl rings are 9.62 (4) and 9.31 (4)°. The crystal packing is stabilized by π–π interactions between two phenanthroline ring systems, forming a centrosymmetric dimer with a centroid–centroid distance of 3.656 (1) Å
Diethyl 2,2′-(biphenyl-2,2′-diyldioxy)diacetate
In the title compound, C20H22O6, the mean planes through the benzene rings make a dihedral angle of 59.82 (7)° with each other. Weak intermolecular C—H⋯O interactions together with π–π stacking interactions [centroid–centroid distance = 3.830 (1) Å] between benzene rings are observed in the crystal packing
Methyl (2′-hydroxybiphenyl-2-yloxy)acetate
The three independent molecules of the title compound, C15H14O4, have similar orientations of their aromatic rings, the dihedral angles between the rings being 57.0 (1), 58.1 (1) and 58.2 (1)°. In each molecule, the hydroxy group forms an intramolecular hydrogen bond to the carbonyl O atom, forming an S(10) ring motif
Bis[3-(2H-benzotriazol-2-yl)-2-(prop-2-ynyloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]methane
In the title compound, C47H54N6O2, the C—C—C bond angle between the rings is 108.40 (13)°. One aryl ring aligned at 38.5 (1)° with respect to the N-heterocyclic substituent and the other at 56.0 (1)° with respect to its substituent. In the crystal, adjacent molecules are linked by C—H⋯N hydrogen bonds, forming a chain extending along the a axis
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-nitrobenzoate
In the title compound, C13H12N4O6, the mean plane through the nitrobenzene forms a dihedral angle of 37.38 (15)° with the plane through the imidazole ring. The crystal packing is stabilized by weak intermolecular C—H⋯O and C—H⋯N interactions together with π–π stacking interactions between nitrobenzene rings [centroid–centroid distance = 3.788 (3) Å] and between imidazole rings [centroid–centroid distance = 3.590 (2) Å]
Dimethyl 2,2′-({2,2′-methylenebis[6-(2H-benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)-2,1-phenylene]}dioxy)diacetate
The asymmetric unit of the title compound, C47H58N6O6, comprises three independent molecules, in one of which one tert-butyl group is disordered in a 1:1 ratio. The molecule is a di(aryl)methane having two aliphatic and one N-heterocyclic substituent in each aryl ring. For the molecule having the disordered tert-butyl group, the aryl rings make an angle of 115.3 (2)° at the methylene carbon; one aryl ring is aligned at 42.0 (1)° with respect to the N-heterocyclic substituent and the other at 48.7 (1)° with respect to its substituent. The two ordered molecules are disposed about a pseudo center of inversion. The pairs of twist angles in these two molecules differ [52.7 (1) and 61.7 (1)°, and 29.1 (1) and 58.5 (1)°]