RESUMO
In the title compound, C17H19NO2S2, the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.0383â (28)â Å, and the piperidine ring adopts a chair conformation. The 2H-chromene ring makes dihedral angles of 32.89â (16) and 67.33â (8)°, respectively, with the mean planes of the piperidine ring and the carbodi-thio-ate group. In the crystal, C-Hâ¯O and weak C-Hâ¯S hydrogen bonds link the mol-ecules into chains along [001]. The crystal structure also features C-Hâ¯π and π-π inter-actions, with a centroid-centroid distance of 3.7097â (17)â Å.
RESUMO
In the title compound, C15H14BrNO3S2, the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.034â (2)â Å, and the morpholine ring adopts a chair conformation. The dihedral angle between best plane through the 2H-chromene ring system and the morpholine ring is 86.32â (9)°. Intra-molecular C-Hâ¯S hydrogen bonds are observed. In the crystal, inversion-related C-Hâ¯S and C-Hâ¯O inter-actions generate R 2 (2)(10) and R 2 (2)(8) rings patterns, respectively. In addition, the crystal packing features π-π inter-actions between fused benzene rings [centroid-centroid distance = 3.7558â (12)â Å].
RESUMO
In the title compound, C13H12Cl N O2S2, the 2H-chromene ring system is almost planar, with a maximum deviation of 0.005â (2)â Å. The packing features C-Hâ¯S hydrogen bonds and π-π inter-actions between fused benzene rings of chromene [shortest centroid-centroid distances = 3.6553â (13) and 3.5551â (13)â Å].
RESUMO
In the title compound, C20H19NO4S2, the morpholine ring adopts the expected chair conformation. The central phenyl ring makes dihedral angles of 67.97â (4) and 7.74â (3)°, respectively, with the benzoate phenyl ring and the morpholine mean plane. In the crystal, mol-ecules are linked by C-Hâ¯O hydrogen bonds, forming zigzag chains along the b-axis direction. C-Hâ¯π inter-actions link centrosymmetrically related mol-ecules, reinforcing the three-dimensional structure.
RESUMO
The asymmetric unit of the title compound, C13H11ClN4O2S, contains two mol-ecules (A and B), in which the dihedral angles between the 1H-imidazo[4,5-c]pyridine system and terminal phenyl ring are 80.83â (10) and 62.34â (1)°. In the crystal, A-B dimers are linked by pairs of N-Hâ¯N hydrogen bonds, which generate R (2) 2(10) loops. The dimers are linked by C-Hâ¯O and C-Hâ¯Cl inter-actions, generating a three-dimensional network. Aromatic π-π stacking inter-actions [shortest centroid-centroid distance = 3.5211â (12)â Å] are also observed.
RESUMO
In the title compound, C26H18F4O2, the dihedral angles between pairs of benzene rings linked to the same C atom are 80.55â (8) and 79.11â (7)°. The crystal packing features C-Hâ¯π inter-actions and shows stacking when viewed along the c axis.
RESUMO
In the title compound, C15H11BrO3, the dihedral angle between the benzene rings is 72.59â (6)°. In the crystal, pairs of C-Hâ¯π contacts form inversion dimers. Additional C-Hâ¯O hydrogen bonds generate R2(1)(6) ring motifs and stack these dimers along the b axis. Short inter-molecular Brâ¯O contacts of 3.254â (3)â Å are also observed and link the stacks into a three-dimensional network.
RESUMO
In the title compound, C(16)H(17)NO(4)S(2), the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.070â (1)â Å, and the morpholine ring adopts a chair conformation; the bond-angle sum for its N atom is 357.9°. The dihedral angle between the the 2H-chromene ring and the best plane through the morpholine ring is 89.09â (6)°. An intra-molecular C-Hâ¯S hydrogen bond occurs. In the crystal, C-Hâ¯O hydrogen bonds generate R(2) (2)(8) rings and π-π inter-actions occur between fused benzene rings of the chromene system [shortest centroid-centroid distance = 3.5487â (8)â Å].
RESUMO
There are two independent mol-ecules in the asymmetric unit of the title compound, C16H15NO3S2, in which the pyrrolidine rings adopt envelope conformations, with a methyl-ene C atom as the flap. The dihedral angles betweeen the near-planar 2H-chromene ring systems [maximum deviations = 0.0167â (20) and 0.0136â (19)â Å] and the pyrrolidine rings (all atoms) are 83.83â (11) and 82.43â (11)°. In the crystal, inversion dimers linked by pairs of C-Hâ¯O hydrogen bonds occur for one of the mol-ecules. Further C-Hâ¯O links involving both mol-ecules generate a three-dimensional network.
RESUMO
In the title compound, C15H16ClNO2S2, the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.023â (2)â Å. In the crystal, C-Hâ¯O hydrogen bonds give R 2 (1)(7) motifs, which generate [100] chains. C-Hâ¯π and π-π inter-actions between chromene moieties [shortest ring centroid-centroid distance = 3.6199â (13)â Å] consolidate the packing.
RESUMO
In the title compound, C16H17NO3S2, the dihedral angles between the O/C/C/S group and the 2H-chromene ring system and the thio-carbamate group are 14.46â (9) and 83.30â (9)°, respectively. The bond-angle sum at the N atom is 360.0°. One of the methyl C atoms lies above the thio-carbamate plane and one lies below it [deviations = 1.264â (3) and -1.147â (3)â Å, respectively]. In the crystal, inversion dimers linked by pairs of C-Hâ¯O hydrogen bonds generate R 2 (2)(10) loops. Weak aromatic π-π stacking inter-actions [shortest centroid-centroid distance = 3.8138â (11)â Å] are also observed.
RESUMO
In the title compound, C17H19NO3S2, the maximum deviation of atoms in the 2H-chromene ring system is 0.0097â (14)â Å and the piperidine ring adopts a chair conformation. The dihedral angle between the 2H-chromene ring and the piperidine ring (all atoms) is 87.59â (8)°. In the crystal, inversion dimers linked by pairs of C-Hâ¯O inter-actions generate R 2 (2)(22) loops. Further C-Hâ¯O hydrogen bonds link the dimers into [110] chains and weak aromatic π-π stacking [shortest centroid-centroid distance = 3.824â (8)â Å] is also observed.
RESUMO
In the title compound, C15H14ClNO2S2, the 2H-chromene ring system is essentially planar, with a maximum deviation of 0.0133â (10)â Å. Three C atoms and their attached H atoms of the pyrrolidine ring are disordered [occupany ratio 0.874â (7):0.126â (7)] with both disorder components adopting a twisted conformation. The dihedral angle between the 2H-chromene ring system and the major occupancy component of the pyrrolidine ring is 89.45â (7)°. In the crystal, inversion dimers linked by pairs of C-Hâ¯S and C-Hâ¯O inter-actions generate R (2) 2(24) and R (2) 2(10) loops, respectively. Further C-Hâ¯O hydrogen bonds link the dimers into [100] chains. C-Hâ¯π inter-actions also occur and there is very weak π-π stacking [inter-planar spacing = 3.650â (5)â Å; centroid-centroid distance = 4.095â (7)â Å] between inversion-related chloro-benzene rings.
RESUMO
In the title compound, C(17)H(15)NO(2)S(2), the 3H-benzo[f]chromene ring system is distinctly twisted; the dihedral angle between the pyran ring and its opposite benzene ring is 9.11â (8)°. The N,N-dimethyl-carbamodithio-ate residue lies almost perpendicular to the pyran ring [dihedral angle = 85.15â (7)°]. In the crystal, weak C-Hâ¯O hydrogen bonds link the mol-ecules into C(10) chains propagating in [001].
RESUMO
In the title compound, C(17)H(19)NO(2)S(2), the 2H-chromene ring system is almost planar, with a maximum deviation of 0.044â (2)â Å, and the pyrrolidine ring adopts an envelope conformation. The dihedral angle between the 2H-chromene system and the planar part of the pyrrolidine ring is 83.65â (8)°. A weak intra-molecular C-Hâ¯S hydrogen bond occurs. The crystal structure features C-Hâ¯O hydrogen bonds and π-π inter-actions, with a centroid-centroid distance of 3.5728â (16)â Å.
RESUMO
In the title compound, C(17)H(21)NO(2)S(2), the coumarin ring system is nearly planar, with a maximum deviation of 0.080â (2)â Å from the mean plane. An intra-molecular C-Hâ¯S hydrogen bond occurs. The crystal structure features C-Hâ¯S hydrogen bonds and weak π-π inter-actions with a centroid-centroid distance of 3.679â (1)â Å.
RESUMO
In the title compound, C(19)H(17)NO(6), the dihedral angle between the 2H-chromene ring system and benzene ring is 5.34â (6)°. A short intra-molecular C-Hâ¯O contact occurs. In the crystal, mol-ecules are linked by N-Hâ¯O hydrogen bonds, generating C(8) chains propagating in [010]. The chains are linked by C-Hâ¯O inter-actions and the packing also exhibits π-π stacking inter-actions between benzene and pyran rings, with a centroid-centroid distance of 3.676â (9)â Å.
RESUMO
In the title compound, C(19)H(17)NO(3)S(2), the morpholine ring is in a chair conformation. In the coumarin ring system, the dihedral angle between the benzene and pyran rings is 3.9â (1)°. In the crystal, weak C-Hâ¯O inter-actions link the mol-ecules into corrugated layers parallel to (102). The crystal packing also exhibits π-π inter-actions, with distances of 3.644â (1) and 3.677â (1)â Å between the centroids of the benzene rings of neighbouring mol-ecules.
RESUMO
In the title compound, C(16)H(17)NO(3)S(2), the 2H-chromene ring is close to being planar [maximum deviation = 0.034â (2)â Å] and the pyrrolidine ring is twisted about the C-C bond opposite the N atom. The dihedral angle between the ring-system planes is 75.24â (16)° and an intra-molecular C-Hâ¯S inter-action occurs. In the crystal, mol-ecules are linked by C-Hâ¯O hydrogen bonds and the packing also exhibits π-π inter-actions, with a distance of 3.6106â (13)â Å between the centroids of the benzene rings of neighbouring mol-ecules.
RESUMO
In the title compound, C(16)H(16)ClNO(2)S(2), the piperidine ring is in a chair conformation. In the coumarin ring system, the dihedral angle between the benzene and pyran rings is 3.5â (1)°. In the crystal, a weak C-Hâ¯O hydrogen bond links mol-ecules into chains along [001]. In addition, π-π stacking inter-actions are present involving the benzene and pyran rings, with a centroid-to-centroid distance of 3.712â (2)â Å. The crystal studied is a nonmerohedral twin with refined components 0.221â (1) and 0.779â (1).