RESUMO
In the title mol-ecule, C(12)H(8)F(3)NO(3), the trifluoro-methyl group is rotationally disordered over three orientations in a 0.5:0.3:0.2 ratio. In the crystal, N-Hâ¯O hydrogen bonds link the mol-ecules related by translation into chains along the c axis. The crystal packing exhibits π-π inter-actions between the pyran rings of neighboring mol-ecules [centroid-centroid distance = 3.462â (4)â Å] and short Câ¯O contacts of 3.149â (4)â Å.
RESUMO
The asymmetric unit of the title compound, C(12)H(9)NO(2)S(4), contains one half-mol-ecule with the N, two S amd four C atoms lying on a mirror plane. The mol-ecule exhibits a V-shaped conformation, with a dihedral angle of 87.00â (7)° between the benzene and dithiol-opyrrole rings. The methyl group was treated as rotationally disordered between two orientations in a 1:1 ratio. In the crystal, weak C-Hâ¯O hydrogen bonds link the mol-ecules into chains in [010].
RESUMO
In the title compound, C(14)H(15)NO(3), all non-H atoms except for those of the methyl and the disordered ethyl groupare approximately co-planar, the largest deviation from the mean plane being 0.0223â (13)â Å at the N atom. In the crystal, the packing of mol-ecules through weak inter-molecular C-Hâ¯O hydrogen-bonding inter-actions leads to the formation of layers parallel to bc plane. Within these layers, there exist slipped π-π stacking inter-actions between symmetry-related fused rings [centroid-centroid distances = 3.527â (3) and 3.554â (3), slippage = 0.988 and 1.011â Å, respectively]. One ethyl group is disordered over two sets of sites with site-occupation factors of 0.54 and 0.46.
RESUMO
The title compound, C(22)H(30)N(4)O(2), has a crystallographic inversion center located at the mid-point of the N-N single bond. Apart from the four ethyl C atoms, the non-H atoms are nearly coplanar with a mean deviation of 0.0596â (2)â Å. An intra-molecular O-Hâ¯N hydrogen bond occurs. In the crystal, weak inter-molecular C-Hâ¯O hydrogen bonds link the mol-ecules into layers parallel to (100).
RESUMO
The asymmetric unit of the title compound, C(14)H(17)N(3)O(3), contains two independent mol-ecules with different conformations of the ethyl groups. In the crystal, inter-molecular N-Hâ¯O hydrogen bonds link the mol-ecules into ribbons extending along the a axis.
RESUMO
In the title compound, C(18)H(26)O(3)S(8), the two five-membered rings exhibit envelope conformations. The two S atoms in the 17-membered macrocycle deviate from the plane of the fused five-membered ring by 1.429â (3) and -1.434â (3)â Å in opposite directions.
RESUMO
The title compound, C(13)H(20)O(3)S(5), is bis-ected by a crystallographic twofold rotation axis, which relates the two halves of the mol-ecule to one another: one S, one C and one O atom lie on the axis. The thione S atom lies in the plane of the five-membered rings with an r.m.s. deviation of 0.0042â (5)â Å. Parts of the 17-membered macrocycle were refined using a two-part disorder model [occupancies of 0.553â (14) and 0.447â (14)]. There are no noteworthy inter-molecular inter-actions.
RESUMO
In the title compound, C(16)H(16)N(2)O(3)S(6), the two five-membered rings form a dihedral angle of 7.86â (9)°. Weak C-Hâ¯N hydrogen bonds link the mol-ecules to form a chain along c; the chains are further connected by weak C-Hâ¯O hydrogen bonds to form a three-dimensional supra-molecular network.
RESUMO
In the title compound, C(14)H(8)N(4)S(6), the two five-membered rings lie in the same plane with an r.m.s. deviation of 0.0334â (5)â Å. The crystal structure features inter-molecular Sâ¯N inter-actions of 3.295â (4)â Å.
RESUMO
In the title compound, C(8)H(8)S(6), the five-membered rings form a dihedral angle of 25.06â (9)°. In the absence of short inter-molecular contacts, the mol-ecules are packed by van der Waals forces in the crystal.
RESUMO
In the title compound, C(18)H(23)NOS(6), the dithiol-opyrrole ring is almost planar [r.m.s. deviation = 0.044â (3)â Å] and makes a dihedral angle of 25.11â (7)° with the dithiole ring. In the crystal, pairs of neighboring mol-ecules are connected by weak inter-molecular C-Hâ¯O inter-actions. These dimers are further linked into a chain along [110] by C-Hâ¯O inter-actions.
RESUMO
The asymmetric unit of the title compound, C(19)H(19)NOS(6), contains two independent mol-ecules with different conformations of the ethyl groups. The dihedral angles between the pyrrole and benzene rings are 14.19â (14) and 16.29â (17)° in the two molecules. In the absence of short inter-molecular contacts, in the crystal, the mol-ecules are packed with their long axes parallel to [10].
RESUMO
In the title mol-ecule, C(9)H(12)S(5)O, the five-membered ring and attached S atom are essentially coplanar [mean deviation from the mean plane = 0.020â (1)â Å]. The two S atoms belonging to the macrocycle deviate from this plane by 1.005â (1) and 1.337â (2)â Å. In the crystal, π-π inter-actions link the mol-ecules into centrosymmetric dimers with a short distance of 3.753â (5)â Å between the centroids of the five-membered rings.
RESUMO
In the title mol-ecule, C(11)H(16)O(2)S(5), the two S atoms from the macrocycle are situated on opposite sides of the mean plane of the five-membered ring, deviating from it by 1.288â (3) and 1.728â (3)â Å. In the crystal, weak inter-molecular C-Hâ¯S and C-Hâ¯O hydrogen bonds link the mol-ecules into layers parallel to (100). The crystal studied was a racemic twin.
RESUMO
In the title mol-ecule, C(16)H(20)O(5)S(6), the two five-membered rings form a dihedral angle of 4.7â (3)°. The crystal packing exhibits weak inter-molecular C-Hâ¯O hydrogen bonds, which link the mol-ecules into chains propagating in [10], and π-π inter-actions, indicated by the short distances [3.756â (5)â Å] between the centroids of five-membered rings from mol-ecules related by translation along the b axis.
RESUMO
In the title mol-ecule, C(14)H(18)OS(8), one O atom, two S atoms and six C atoms form an 11-membered ring with a chair-like conformation; the planes of the two five-membered rings connected by a carbon-carbon double bond form a dihedral angle of 29.97â (11)°. In the crystal, pairs of weak inter-molecular C-Hâ¯S hydrogen bonds link two mol-ecules into inversion dimers.
RESUMO
In the title mol-ecule, C(16)H(22)S(8)O(2), two S atoms, two O atoms and ten C atoms form a 14-membered ring with a boat conformation. In the crystal, C-Hâ¯O hydrogen bonds link the mol-ecules into dimers which are further connected into a chain along the a axis by C-Hâ¯S hydrogen bonds.
RESUMO
The title mol-ecule, C(6)H(4)N(2)S(4), has a crystallographically imposed centre of symmetry located at the mid-point of the N-N single bond. The mol-ecule is essentially planar: the two five-membered rings form a dihedral angle of 0.17â (6)°. The crystal packing exhibits short inter-molecular Sâ¯S contacts of 3.549â (2)â Å.