RESUMO
In the mol-ecule of the title compound, C(17)H(17)N(3)O(3), the triazole ring is oriented at dihedral angles of 88.09â (3) and 83.72â (3)° with respect to the 2-methoxy-benzyl and 2-methoxy-phenyl rings, respectively. The dihedral angle between the 2-methoxy-benzyl and 2-methoxy-phenyl rings is 52.95â (3)°. In the crystal structure, inter-molecular N-Hâ¯O hydrogen bonds link the mol-ecules into centrosymmetric dimers. There is a π-π contact between the 2-methoxy-phenyl rings [centroid-centroid distance = 3.811â (3)â Å].
RESUMO
The asymmetric unit of the title compound, C(18)H(19)N(3)O(3), contains two crystallographically independent but similar mol-ecules. The triazole ring is oriented with respect to the benzene rings to form dihedral angles of 57.96â (6) and 7.01â (6)° in one mol-ecule, and 64.37â (5) and 10.73â (5)° in the other. The two independent mol-ecules are linked into a dimer by inter-molecular N-Hâ¯O hydrogen bonds.
RESUMO
In the mol-ecule of the title compound, C(16)H(13)FO(2), the aromatic rings are oriented at a dihedral angle of 74.46â (4)°. The heterocyclic ring adopts a twisted conformation. In the crystal structure, there is a weak C-Hâ¯π inter-action.
RESUMO
The title compound, C(18)H(19)N(3)O(3), is a biologically active triazole derivative. The five-membered ring is oriented with respect to the six-membered rings at dihedral angles of 51.59â (4) and 61.37â (4)°. The crystal structure is stabilized by inter-molecular N-Hâ¯O hydrogen-bond inter-actions between centrosymmetrically related mol-ecules [the dihedral angle between the benzene rings is 47.44â (5)°].
RESUMO
In the mol-ecule of the title compound, C(16)H(14)O(2), the aromatic rings are oriented at a dihedral angle of 78.49â (3)°. The heterocyclic ring adopts a twist conformation. In the crystal structure, inter-molecular C-Hâ¯O hydrogen bonds link the mol-ecules into chains along the c axis.
RESUMO
In the mol-ecule of the title compound, C(16)H(11)FOS, the benzene ring is oriented at a dihedral angle of 89.68â (3)° with respect to the planar [maximum deviation 0.009â (2)â Å] isocoumarin ring system. An intra-molecular C-Hâ¯S inter-action results in the formation of a planar five-membered ring. In the crystal structure, inter-molecular C-Hâ¯O hydrogen bonds link the mol-ecules into chains parallel to the c axis. A π-π contact between the isocoumarin rings [centroid-centroid distance = 3.818â (3)â Å] may further stabilize the structure.
RESUMO
In the mol-ecule of the title compound, C(15)H(13)NO(2), the aromatic rings are oriented at a dihedral angle of 81.65â (3)°. In the crystal structure, weak inter-molecular C-Hâ¯N hydrogen bonds link the mol-ecules into chains along the b axis.
RESUMO
In the mol-ecule of the title compound, C(14)H(9)Cl(2)NO, the planar indole ring system [with a maximum deviation of 0.020â (2)â Å for the N atom] is oriented at a dihedral angle of 72.17â (3)° with respect to the phenyl ring. In the crystal structure, weak inter-molecular C-Hâ¯O hydrogen bonds link the mol-ecules. A weak C-Hâ¯π inter-action may further stabilize the structure.
RESUMO
In the title compound, C(11)H(14)N(2)O(3), the planar hydrazide group is oriented with respect to the benzene ring at a dihedral angle of 48.00â (3)°. In the crystal structure, inter-molecular N-Hâ¯O hydrogen bonds link the mol-ecules.
RESUMO
In the crystal of the title compound, C(11)H(12)O(4), inversion dimers arise from pairs of intermolecular O-Hâ¯O hydrogen bonds and C-Hâ¯O bonds further consolidate the packing. There is also a C-Hâ¯π contact between the benzene ring and the methyl-ene group.
RESUMO
In the title compound, C(17)H(17)N(3)O(2)S, the five-membered ring forms dihedral angles of 53.02â (3) and 78.57â (3)° with the 3-meth-oxy-substituted and 2-meth-oxy-substituted benzene rings, respectively. In the crystal structure, mol-ecules are linked into centrosymmetric dimers via inter-molecular N-Hâ¯S hydrogen bonds.
RESUMO
In the mol-ecule of the title compound, C(8)H(6)Cl(2)O(2), the benzene ring is oriented with respect to the planar ester group at a dihedral angle of 39.22â (3)°.
RESUMO
The asymmetric unit of the title compound, C(16)H(11)ClO(2), a chemically synthesized isocoumarin, contains three independent mol-ecules. The benzopyran and benzene rings are approximately perpendicular to each other, forming dihedral angles ranging from 83.08â (14) to 87.43â (11)°. In the crystal structure, mol-ecules are linked by inter-molecular C-Hâ¯O hydrogen-bonding inter-actions, forming chains running parallel to the a axis.
RESUMO
In the mol-ecule of the title compound, C(8)H(10)N(2)O, the oxime group is oriented at a dihedral angle of 5.58â (3)° with respect to the benzene ring. In the crystal structure, inter-molecular O-Hâ¯N and N-Hâ¯O hydrogen bonds link the mol-ecules, forming a three-dimensional network.
RESUMO
In the mol-ecule of the title compound, C(18)H(19)N(3)O(3), the triazole ring is oriented with respect to the 3-methoxy-phenyl and 2-methoxy-phenyl rings at dihedral angles of 11.79â (3) and 89.22â (3)°, respectively. The dihedral angle between the two benzene rings is 85.95â (3)°. In the crystal structure, inter-molecular O-Hâ¯N and C-Hâ¯O hydrogen bonds link the mol-ecules. There is a π-π contact between the triazole and 3-methoxy-phenyl rings [centroid-centroid distance = 3.916â (3)â Å]. There is a π-π contact between the triazole and one of the 3-methoxy-phenyl rings [centroid-centroid distance = 3.916â (3)â Å ]. C-Hâ¯π contacts are also found between the benzene ring and the methyl groups of their 3-methoxy-substituents.
RESUMO
The title compound, C(16)H(13)ClO(3), is an important inter-mediate in the conversion of isocoumarin to 3,4-dihydro-isocoumarin. The two aromatic rings are oriented at a dihedral angle of 67.18â (3)°. In the crystal structure, inter-molecular O-Hâ¯O hydrogen bonds link the mol-ecules into centrosymmetric dimers. There is also a C-Hâ¯π contact between the benzoic acid and 4-chloro-benzyl rings.
RESUMO
In the title compound, C(15)H(9)ClINO(2), which possesses anticonvulsant activity, the iodo-indoline ring system is essentially planar (maximum deviation 1.245â Å) and is oriented with respect to the 3-chloro-benzyl ring at a dihedral angle of 76.59â (3)°. In the crystal, there is a π-π contact between iodo-indoline ring systems [centroid-centroid distance = 3.8188â (4)â Å].
RESUMO
In the title compound, C(15)H(11)FO(3), the aromatic rings are oriented at a dihedral angle of 69.26â (3)°. In the crystal structure, inversion dimers arise from pairs of inter-molecular O-Hâ¯O hydrogen bonds, and C-Hâ¯O hydrogen bonds further consolidate the packing. There are also C-Hâ¯π contacts between the benzoic acid and 2-fluoro-benzene rings.
RESUMO
The asymmetric unit of the title compound, C(12)H(14)O(3), contains two independent mol-ecules, in which the benzene rings are oriented at a dihedral angle of 72.08â (3)°. In the crystal structure, inter-molecular C-Hâ¯O hydrogen bonds link the mol-ecules into centrosymmetric dimers. There are also C-Hâ¯π contacts between aromatic CH groups and the benzene rings.
RESUMO
In the title compound, C(15)H(13)Cl(2)NO(2), the dihedral angle between the aromatic rings is 63.80â (12)°. The conformation may be stabilized by a weak N-Hâ¯O hydrogen bond. In the crystal structure, a short C-Clâ¯π interaction occurs, with a Clâ¯π separation of 3.5706â (13)â Å.