ABSTRACT
In the title compound, C(24)H(20)N(2)O(3), the mean plane of the benzimidazole unit makes dihedral angles of 79.88â (11) and 85.44â (12)° with the benzene and 4-meth-oxy-benzene rings, respectively. The benzene and 4-meth-oxy-benzene rings maske a dihedral angle of 16.10â (14)°. A pair of inter-molecular N-Hâ¯O hydrogen bonds connects adjacent mol-ecules into an inversion dimer, generating an R(2) (2)(26) ring motif. The crystal structure is further stabilized by C-Hâ¯π inter-actions.
ABSTRACT
In the title compound, C(21)H(16)F(2)N(2), the seven-membered 1,4-diazepine ring of the benzodiazepine ring system adopts a distorted-boat conformation. The benzene ring of this system makes dihedral angles of 18.6â (2) and 78.8â (2)° with those of two fluoro-phenyl substituents. In the crystal, inversion dimers linked by two weak C-Hâ¯F hydrogen bonds generate R(2) (2)(20) ring motifs. There are also weak N-Hâ¯π and C-Hâ¯π inter-actions.
ABSTRACT
In the title mol-ecule, C(16)H(12)F(2)N(2)O, the pyrazole ring adopts a slight envelope conformation with the methyl-ene C atom deviating by 0.114â (3)â Å from the mean plane of the other four atoms [maximum deviation = 0.021â (3)â Å]. The dihedral angles between the four essentially planar atoms of the pyrazole ring and the fluoro-substituted benzene rings are 2.6â (2) and 82.2â (2)°. The dihedral angle between the two benzene rings is 83.7â (2)°. The crystal packing is stabilized by weak inter-molecular C-Hâ¯O hydrogen bonds.
ABSTRACT
In the title compound, C(23)H(22)N(2)O(2), the central pyrazole ring is nearly planar (r.m.s. deviation = 0.046â Å) and it makes a dihedral angle of 18.5â (2)° with the phenyl ring. The dihedral angles between the phenyl and the two meth-oxy-substituted phenyl rings are 26.2â (2) and 80.6â (2)°. The crystal structure is stabilized by C-Hâ¯π stacking inter-actions and weak π-π inter-actions [centriod-centroid distance = 3.891â (2)â Å].
ABSTRACT
In the title compound, C(22)H(18)N(2)O(5), the four-membered ß-lactam ring is nearly planar, with a maximum deviation of 0.023â (2)â Å for the N atom, and has long C-C distances of 1.525â (5) and 1.571â (5)â Å. The mean plane of this group makes dihedral angles of 11.61â (19), 74.5â (2) and 72.3â (2)° with three aromatic rings. An intra-molecular C-Hâ¯O hydrogen bond occurs. The packing of the mol-ecules in the crystal structure is governed mainly by inter-molecular C-Hâ¯O hydrogen-bonding and C-Hâ¯π stacking inter-actions. Furthermore, a π-π inter-action [centroid-centroid distance = 3.6129â (19)â Å] helps to stabilize the crystal structure.
ABSTRACT
In the title compound, C(14)H(21)N(2)Si(+)·Br(-)·H(2)O, the benzimidazole ring system is almost planar [maximum deviation = 0.021â (2)â Å]. In the crystal, O-Hâ¯Br and C-Hâ¯O hydrogen bonds link the ions via the O atoms of the water mol-ecules. In addition, there are π-π stacking inter-actions between the centroids of the benzene and imidazole rings of the benzimidazole ring system [centroid-centroid distances = 3.521â (3) and 3.575â (2)â Å].
ABSTRACT
The title compound, C(33)H(29)N(3)O(5), was synthesized by the reaction of racemic trans-2-benzyl-3-(2-fur-yl)-1-oxo-1,2,3,4-tetra-hydro-isoquinoline-4-carboxylic acid, l-tryptophan methyl ester and diisopropylcarbodiimide in dry dichloro-methane. The furan ring is disordered over two positions in a 0.859â (14):0.141â (14) ratio. In the 1,2,3,4-tetra-hydro-iso-quin-oline ring system, the heterocyclic ring is not planar, with puckering parameters Q(T) = 0.448â (2)â Å, θ = 64.9â (3) and Ï = 268.3â (3)°. The crystal is extended into a three-dimensional supra-molecular architecture through inter-molecular N-Hâ¯O hydrogen bonds and C-Hâ¯π inter-actions. The absolute structure was assigned by reference to the chiral starting material.
ABSTRACT
The title compound, C(37)H(27)NO(4), crystallizes with two mol-ecules in the asymmetric unit. The ß-lactam ring of each mol-ecule is very nearly planar, with maximum deviations of 0.001â (2) and 0.017â (2)â Å in the two mol-ecules. The crystal structure is stabilized by inter-molecular C-Hâ¯O and C-Hâ¯N contacts, as well as by weak C-Hâ¯π inter-actions.
ABSTRACT
The title compound, C(16)H(14)O(6)S, was synthesized by the reaction of 6,7-dimethoxy-homophthalic anhydride with thio-phene-2-carbaldehyde in the presence of 4-(dimethyl-amino)pyridine (DMAP) as a basic catalyst. The thio-phene ring of the title mol-ecule is disordered over two sites with occupancies of 0.877â (3) and 0.123â (3). The disorder corresponds to an approximate 180° rotation of the thio-phene ring with respect to the C-C bond linking it to the rest of the mol-ecule. The six-membered ring of the 3,4-dihydro-isochromanone ring system is not planar [puckering parameters Q(T) = 0.571â (2)â Å, θ = 115.2â (2)° and Ï = 99.1â (2)°]. The benzene ring of the 3,4-dihydro-isochromanone ring system makes dihedral angles of 75.0â (2) and 77.2â (5)° with the disordered thio-phene rings. Inter-molecular O-Hâ¯O and C-Hâ¯O hydrogen bonds, as well as C-Hâ¯π inter-actions, lead to the observed supra-molecular structure.