ABSTRACT: The title compound, C(22)H(18)ClN(3)S, was synthesized by the reaction of 4-chloro-benzaldehyde, tetra-hydro-thio-pyran-4-one and 3-methyl-1-phenyl-1H-pyrazol-5-amine in acetic acid without a catalyst. The pyridine and pyrazole rings are almost coplanar, the dihedral angle between their mean planes being 2.50?(1)°. The thio-pyran ring exhibits an envelope conformation. The crystal packing is stabilized by inter-molecular C-H?Cl hydrogen bonds and by C-H?? and ?-? inter-actions [centroid-centroid distances of 3.825?(2)?Å between pyridine rings and 3.557?(2)?Å between pyrazole and pyridine rings.
Project description:In the title compound, C(14)H(11)ClN(2)O(2), two independent mol-ecules (A and B) comprise the asymmetric unit with the main difference between them being the relative orientation of the pendent phenyl ring with respect to the fused-ring system [dihedral angles = 8.32?(8)° (A) and 28.32?(8)° (B)]. In the crystal, the A mol-ecules are connected into a linear supra-molecular chain along the a axis via C-H?O inter-actions and linked to this via C-H?Cl inter-actions are the B mol-ecules. The chains are connected into layers in the ab plane by ?-? inter-actions between pyrazole (A) and pyran (B) rings, and between pyrazole (B) and pyran (A) rings [centroid-centroid distances = 3.5442?(11) and 3.4022?(10)?Å, respectively].
Project description:In the title compound, C17H18N4O4, the dihedral angle between the benzene ring and 2,4-di-hydro-pyrano[2,3-c]pyrazole ring system is 89.41?(7)°. The pyran moiety adopts a strongly flattened boat conformation. In the crystal, mol-ecules are linked by N-H?N, N-H?O, C-H?N and C-H?O hydrogen bonds into an infinite two-dimensional network parallel to (110). There are ?-? inter-actions between the pyrazole rings in neighbouring layers [centroid-centroid distance = 3.621?(1)?Å].
Project description:In the title compound, C35H31N3O5S, the piperidine ring adopts an envelope conformation, with the methine C atom as the flap, and the pyran ring adopts a sofa conformation. The mean planes of these two rings are almost normal to one another, making a dihedral angle of 85.96?(5)°. The two phenyl rings, one attached to the pyrazole ring and the other to the pyran ring, are inclined to one another by 65.41?(11)°. They are inclined to the mean planes of the rings to which they are attached by 12.59?(11) and 70.09?(9)°, respectively. There is an intra-molecular C-H?? inter-action involving the tosyl-ate methyl group and the phenyl ring attached to the pyrazole ring. In the crystal, mol-ecules are linked by C-H?? inter-actions, forming ribbons parallel to (10-2). The ribbons are linked by slipped parallel ?-? inter-actions involving inversion-related pyrazole rings [inter-centroid distance = 3.672?(2)?Å], forming slabs parallel to (001). A preliminary report of this structure has been published [Bakthadoss et al. (2014 ?). Eur. J. Org. Chem. pp. 1505-1513].
Project description:In the title compound, C(12)H(16)N(2)O, the dihedral angle between the pyridine ring and C/O/N plane is 22.93?(7)°. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules, forming extended chains along . ?-? inter-actions between inversion-related pyridine rings [centroid-centroid distance = 3.825?(2)Å] are also observed.
Project description:The asymmetric unit of the title compound, C(12)H(7)NO(3)S, contains two independent mol-ecules with different geometric-al configurations. The dihedral angles between the benzene and pyridine rings in the two mol-ecules are 3.7?(2) and 5.40?(19)°. The central heterocyclic fused rings have different puckering parameters [Q = 0.122?(3)?Å, ? = 100.4?(13), ? = 185.3?(19)° in one mol-ecule, 0.101?(3)?Å, 101.4?(3) and 2?(2)° in the other]. The SO(2) group is oriented at dihedral angles of 81.06?(14) and 82.58?(15)° with the benzene and pyridine rings, respectively, in one mol-ecule [87.21?(14) and 87.66?(14)° in the second]. In the crystal, the mol-ecules are linked into zigzag polymeric chains along the b axis by inter-molecular C-H?O hydrogen bonding. ?-? inter-actions with centroid-centroid distances in the range 3.825?(3)-4.153?(3)?Å stabilize the structure. S-O?? and C-O?? inter-actions are also observed.
Project description:In the title complex, [Mn(CH(3)CO(2))(2)(C(11)H(9)N(5))], the Mn(II) atom is coordinated by the pyridine N atom and two pyrazole N atoms from a 2,6-bis-(pyrazol-3-yl)pyridine ligand and four O atoms from two bidentate acetate ligands. The complex mol-ecules are linked by inter-molecular N-H?O hydrogen bonds into a chain along . ?-? inter-actions between the pyridine rings and between the pyrazole rings [centroid-centroid distances = 3.772?(2) and 3.546?(2)?Å] connect the chains.
Project description:In the title compound, C11H7N3S, the thio-phene and pyridine rings are coplanar, forming a dihedral angle of 3.89?(7)°. The conformation about the C=N bond [1.2795?(18)?Å] is E. In the crystal, translationally related mol-ecules along the a axis form weak ?-? inter-actions [centroid-centroid distance = 3.8451?(8)?Å] between the thio-phene rings.
Project description:In the title compound, C15H15N3S2, the central pyrazole ring adopts a twisted conformation on the -CH-CH2- bond. Its mean plane makes dihedral angles of 7.19?(12) and 71.13?(11)° with those of the thio-phene and toluene rings, respectively. The carbothi-amide group [C(=S)-N] is inclined to the pyrazole ring mean plane by 16.8?(2)°. In the crystal, mol-ecules are linked by N-H?S hydrogen bonds, forming chains propagating along . Within the chains, there are N-H?? inter-actions present. Between the chains there are weak parallel slipped ?-? inter-actions involving inversion-related thio-phene and pyrazole rings [inter-centroid distance = 3.7516?(14)?Å; inter-planar distance = 3.5987?(10)?Å; slippage = 1.06?Å].
Project description:The mol-ecule of the title compound, C(10)H(9)N(3)S, is almost planar, with a dihedral angle of 1.38?(4)° between the thio-phene and pyridine rings. In the crystal packing, mol-ecules are linked into layers parallel to the ab plane by inter-molecular N-H?N hydrogen bonds and by ??? stacking inter-actions involving adjacent pyridine and thio-phene rings with a centroid-centroid distance of 3.537?(3)?Å.
Project description:In the title compound, C30H28N2O6, the pyran ring adopts a slightly distorted half-chair conformation and the pyrone ring adopts an envelope conformation, with the C atom bearing the carboxyl-ate group as the flap. The pyrazole ring [maximum deviation = 0.002?(2)?Å] forms a dihedral angle of 13.2?(1)° with the attached benzene ring. The near-planar atoms of the pyran ring and the pyrazole ring are close to coplanar, the dihedral angles between their mean planes being 6.4?(1)°. The dihedral angle between the pyrone ring and the benzene ring of the chromene unit is 10.7?(1)°. The mol-ecular conformation is stabilized by an intra-molecular C-H?O hydrogen bond, which generates an S(6) ring motif. In the crystal, C-H?O inter-actions generate supra-molecular chains propagating in  and these are connected into double layers that stack along the c-axis direction by weak ?-? inter-actions between pyrazole rings [centroid-centroid distance = 3.801?(1)?Å].