ABSTRACT: In the title coumarin derivative, C28H26N2O2, the coumarin unit is approximately planar, with a maximum deviation of 0.048?(3)?Å. The central benzene ring is oriented at dihedral angles of 30.15?(14) and 10.51?(11)°, respectively, to the pyridine ring and coumarin ring system. In the crystal, weak C-H?O and C-H?N hydrogen bonds and weak C-H?? inter-actions link the mol-ecules into a three-dimensional supra-molecular architecture.
Project description:In the title compound, C(25)H(17)N(3)O(2)S, the coumarin ring system is essentially planar with a maximum deviation of 0.019?(2)?Å. A weak intra-molecular C-H?O hydrogen bond stabilizes the mol-ecular structure, so that the coumarin plane is approximately coplanar with the thia-zole ring, making a dihedral angle of 2.5?(10)°. The two phenyl rings are nearly perpendicular to each other, with a dihedral angle of 81.44?(12)°. In the crystal structure, the mol-ecules are linked into an infinite chain along the b axis by inter-molecular C-H?O hydrogen bonds. Weak C-H?? inter-actions are observed between the chains.
Project description:In the title compound, C17H18ClNO5, which was synthesized by reacting 4-chloro-3-formyl-coumarin, acetic acid and tert-butyl isocyanide, the acetamido side chain is convoluted with ring-to-side chain C-C-C-C, C-C-C-N and C-C-N-C torsion angles of -123.30?(14), -135.73?(12) and 176.10?(12)°, respectively. In the crystal, N-H?O and weak C-H?O hydrogen bonds are present, which together with ?-? coumarin-ring inter-actions [ring centroid separations = 3.4582?(8) and 3.6421?(9)?Å], give rise to a layered structure lying parallel to (001).
Project description:The coumarin ring system in the title asymmetric alkyne, C18H12O2, is approximately planar (r.m.s. deviation of the 11 non-H atoms = 0.048?Å), and is inclined with respect to the methyl-benzene ring, forming a dihedral angle of 33.68?(4)°. In the crystal, supra-molecular zigzag chains along the c-axis direction are formed via weak C-H?O hydrogen bonds, and these are connected into double layers via weak C-H?? inter-actions; these stack along the a axis.
Project description:The title compound, C(21)H(19)ClF(3)N(3)O(2), has a structure related to other coumarin derivatives that have been used as fluorescent probes of metal ions. The dihedral angle between the coumarin ring system and the chlorobenzene ring is 42.99?(9)°. Intra-molecular hydrogen bonding occurs via N-H?O and N-H?Cl inter-actions, generating S(7) and S(5) rings, respectively. The crystal packing is stabilized by weak C-H?O hydrogen bonds.
Project description:In the title mol-ecule, C(14)H(13)N(3)O(3), the dihedral angle between the triazole ring and coumarin ring system is 73.01?(4)°. The crystal structure is stabilized by weak inter-molecular C-H?N and C-H?O hydrogen bonds.
Project description:In the title compound, C16H17NO3, the coumarin moiety is essentially planar [maximum deviation from the mean plane formed by the C and O atoms of the coumarin = 0.0183?(12)?Å] and that the cyclo-hexane ring adopts the usual chair conformation. The dihedral angle between the mean plane of the coumarin residue and the plane of the amide residue (defined as the N, C and O atoms) is 18.9?(2)°. There are two intra-molecular hydrogen bonds involving the amide group. In one, the N atom acts as donor to the ketonic O atom and in the other, the amide O atom acts as acceptor of a C-H group of the coumarin. In the crystal, mol-ecules are linked into inversion dimers by pairs of N-H?O contacts and these dimers are linked into pairs by weak C-H?O hydrogen bonds. The combination of these inter-actions creates a chain of rings which runs parallel to [2-10]. C-H?? and ?-? [centroid-centroid distance = 3.8654?(10)?Å] inter-actions are also observed.
Project description:The title compound, C(20)H(17)NO(5), was prepared by the reaction of 3-acetyl-2-oxo-2H-chromen-7-yl acetate with benzyl-oxy-amine. The mol-ecule adopts an E configuration with respect to the C=N double bond. The dihedral angles between the coumarin ring system, the phenyl ring and the C=N-O-C plane of the oxime unit are 35.83?(6), 35.8?(2) and 69.99?(15)°, respectively. In the crystal, a two-dimensional supra-molecular network is assembled through weak inter-molecular C-H?O hydrogen-bonding inter-actions.
Project description:The title compound, C(21)H(18)O(7), is an important inter-mediate in the synthesis of 3-(4-hydroxy-phen-yl)-4-methyl-6-meth-oxy-7-hydroxy-coumarin, which is a nonsteroidal analogue of 2-methoxy-estradiol (2-ME). The substituent benzene ring is not in the same plane as the coumarin ring system, with a dihedral angle of 66.88?(10)°. There are some weak inter-molecular C-H?O inter-actions. One carbonyl O atom is disordered over two sites, with occupancies of 0.6 and 0.4.
Project description:In the title compound, C12H10O4, the dihedral angle between the coumarin ring system [maximum deviation = 0.033?(8)?Å] and the propionate side chain is 78.48?(8)°. In the crystal, weak C-H?O hydrogen bonds generate inversion dimers and and C-H?? and ?-? inter-actions link the dimers into a three-dimensional network. A quantum chemical calculation is in good agreement with the observed structure.
Project description:In the title compound, C(17)H(21)NO(2)S(2), the coumarin ring system is nearly planar, with a maximum deviation of 0.080?(2)?Å from the mean plane. An intra-molecular C-H?S hydrogen bond occurs. The crystal structure features C-H?S hydrogen bonds and weak ?-? inter-actions with a centroid-centroid distance of 3.679?(1)?Å.