ABSTRACT
In the title compound, C16H19N3O2Si, the dihedral angle between the coumarin ring system (r.m.s. deviation = 0.031â Å) and the triazole ring is 73.81â (8)°. In the crystal, mol-ecules are linked into [010] chains by weak C-Hâ¯O inter-actions.
ABSTRACT
In the title thio-phene derivative, C13H18N2O3S, the dihedral angles between the thio-phene ring and the [(di-methyl-amino)-methyl-idene]amino side chain (r.m.s. deviation = 0.009â Å) and the -CO2 ester group are 3.01â (16) and 59.9â (3)°, respectively. In the crystal, inversion dimers linked by pairs of C-Hâ¯O hydrogen bonds generate R 2 (2)(16) loops. The dimers are linked by another weak C-Hâ¯O inter-action, forming chains along [001]. In addition, weak C-Hâ¯π inter-actions are observed, which link the chains into (001) layers.
ABSTRACT
The title mol-ecular salt, C21H25N2O5S(+)·Cl(-), crystallizes with two ion pairs in the asymmetric unit. The cations have similar conformations (r.m.s. overlay fit = 0.40â Å), with one of them showing disorder of the terminal methyl group of the ester in a 0.72â (2):0.28â (2) ratio. In the first cation, the 3,4-dimeth-oxy-substituted phenyl ring subtends a dihedral angle of 88.38â (7)° with the pyrimidine ring and 6.79â (8)° with the thia-zole ring. The equivalent data for the second cation are 89.97â (3) and 6.42â (7)°, respectively. The pyrimidine ring adopts a sofa conformation in each cation. In the crystal, the components are linked by N-Hâ¯Cl hydrogen bonds, generating isolated ion pairs. The ion pairs are are linked by C-Hâ¯O inter-actions, generating a three-dimensional network. In addition, a weak C-Hâ¯π inter-action is observed.
ABSTRACT
In the title compound, C17H18N2O3S2, the pyrimidine ring adopts a shallow sofa conformation, with the C atom bearing the axially-oriented thio-phene ring as the flap [deviation = 0.439â (3)â Å]. The plane of the thio-phene ring lies almost normal to the pyrimidine ring, making a dihedral angle of 79.36â (19)°. In the crystal, pairs of very weak C-Hâ¯O hydrogen bonds link the mol-ecules related by twofold rotation axes, forming R 2 (2)(18) rings, which are in turn linked by another C-Hâ¯O inter-action, forming chains of rings along [010]. In addition, weak C-Hâ¯π(thio-phene) inter-actions link the chains into layers parallel to [001] and π-π inter-actions with a centroid-centroid distance of 3.772â (10)â Å connect these layers into a three-dimensional network.
ABSTRACT
In the title compound, C16H23N3O3S, the dihedral angles between the thio-phene ring and the almost planar di-methyl-amino-methyl-ene-amino (r.m.s. deviation = 0.005â Å) and di-methyl-amino-acryloyl (r.m.s. deviation = 0.033â Å) substituents are 6.99â (8) and 6.69â (7)°, respectively. The ester CO2 group subtends a dihedral angle of 44.92â (18)° with the thio-phene ring. An intra-molecular C-Hâ¯O hydrogen bond generates an S(6) ring. In the crystal, inversion dimers linked by pairs of C-Hâ¯O hydrogen bonds generate R (2) 2(14) loops. In addition, a weak C-Hâ¯π inter-action is observed.
ABSTRACT
In the title mol-ecule, C20H22N2O4S, the pyrimidine ring is in a flattened half-chair conformation and the 3-meth-oxyphenyl substituent is in an axial arrangement. The thia-zole ring forms a dihedral angle of 81.3â (1)° with the benzene ring. In the crystal, weak C-Hâ¯S inter-actions link mol-ecules into chains along [001]. In addition, there are π-π inter-actions between inversion-related thia-zole rings with a centroid-centroid distance of 3.529â (2)â Å. The ethyl group was refined as disordered over two sets of sites with an occupancy ratio of 0.52â (3):0.48â (2).
ABSTRACT
The asymmetric unit of the title compound, C15H21N3OSi, contains two mol-ecules with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.163â Å). The dihedral angles between the planes of the 1,2,3-triazole and 2,4-di-methyl-benzene rings are 27.0â (3) and 19.5â (3)°. In the crystal, mol-ecules are linked by very weak C-Hâ¯O and C-Hâ¯N hydrogen bonds to generate [100] chains. The chains are cross-linked by C-Hâ¯π inter-actions.