ABSTRACT: In the title compound, C(17)H(20)Cl(2)N(4)O, the piperazine ring adopts a chair conformation and the dihedral angle between the pyridazine ring and the benzene ring is 36.3?(1)°. In the crystal, weak C-H?O and C-H?(N,N) inter-actions help to establish the packing, which also features short inter-molecular Cl?Cl contacts [3.331?(2)?Å].
Project description:The title compound, C(15)H(14)ClF(3)N(4), was synthesized from 3,6-dichloro-pyridazine and 1-[3-(trifluoro-meth-yl)phen-yl]piper-azine. The piperazine ring is flanked by 3-chloro-pyridazine and 3-trifluoro-methyl-phenyl rings and adopts a chair conformation, whereas the 3-chloro-pyridazine and 3-trifluoro-methyl-phenyl rings are planar, with maximum deviations of 0.0069?(13) and 0.0133?(14)?Å, respectively. The crystal structure is stabilized by weak inter-molecular C-H?N hydrogen-bond inter-actions.
Project description:In the title compound, C(13)H(14)ClN(5), the piperazine ring adopts a chair conformation and the dihedral angle between the aromatic rings is 13.91?(7)°. The crystal structure is stabilized by weak inter-molecular C-H?N hydrogen-bond inter-actions.
Project description:The title compound, C(12)H(9)ClN(4), was prepared from dichloro-pyridazine and tolyl-tetra-zole in a nucleophilic biaryl coupling followed by thermal ring transformation. The mol-ecule is essentially planar (r.m.s. deviation for all non-H atoms = 0.036?Å) and an intra-molecular C-H?N hydrogen bond occurs. In the crystal, the mol-ecules form dimers connected via ?-? inter-actions [centroid-centroid distance = 3.699?(2)?Å], which are further connected to neighbouring mol-ecules via C-H-N bonds. The bond lengths in the pyridazine ring system indicate a strong localization of the double bonds and there is a weak C-Cl bond [1.732?(3)?Å].
Project description:In the title compound, C(29)H(27)ClN(4)O(2), the six-membered ring of the pyridazine group is nearly planar [maximum deviation = -0.062?(2)?Å] and its mean plane makes dihedral angles of 43.05?(9), 44.71?(10) and 72.57?(9)°, respectively, with the two phenyl and benzene rings. The piperazine ring has a chair conformation and its mean plane is almost perpendicular to the attached benzene ring, with a dihedral angle of 83.20?(16)°. In the crystal, mol-ecules are linked via two pairs of C-H?O inter-actions, which result in the formation of chains propagating along [10-1]. Neighbouring chains are linked via C-H?? inter-actions.
Project description:In the title compound, C(13)H(16)ClFN(2)O, the piperazine ring is flanked by 1-(2-fluoro-benz-yl)piperazine and adopts a chair conformation. The dihedral angle between the fluoro-phenyl ring and the four planar C atoms (r.m.s. = 0.0055?Å) of the piperazine chair is 78.27?(7)°, whereas the dihedral angle between the four planar C atoms of the piperazine chair and the ethanone plane is 55.21?(9)?Å; the Cl atom displaced by1.589?(2)?Å out of the plane.
Project description:The title salts, C8H13N4 (+)·Cl(-), (I), and C8H13N4 (+)·NO3 (-), (II), contain linked pyridinium-piperazine heterocycles. In both salts, the piperazine ring adopts a chair conformation with protonation at the N atom not linked to the other ring. In the crystal of (I), weak N-H?Cl inter-actions are observed, leading to zigzag chains along . In the crystal of (II), both H atoms on the NH2 (+) group form bifurcated N-H?(O,O) hydrogen bonds. Weak C-H?O inter-actions are also observed. These bonds collectively link the components into infinite chains along .
Project description:In the title compound, C(26)H(28)FN(5)O(3), the morpholine ring adopts a chair conformation. The piperazine ring is puckered [Q(T) = 0.5437?(15)?Å, ? = 8.89?(15) and ? = 357.2?(11)°]. The 1,6-dihydro-pyridazine ring makes dihedral angles of 28.03?(7) and 77.46?(7)° with the phenyl and benzene rings, respectively. In the crystal, mol-ecules are linked along the c axis by C-H?O inter-actions and are flattened parallel to the ac plane. C-H?? inter-actions also contribute to the stability of the structure.
Project description:In the title compound, C(11)H(17)N(2)O(+)·Cl(-), the dihedral angle between the benzene ring and the basal plane of piperazine ring is 39.20?(8)°. In the crystal, intermolecular N-H?Cl hydrogen bonds occur. There is also a C-H?? inter-action between the benzene rings.
Project description:The title pyridazinone derivative, C21H19ClN2O3, is not planar. The unsubstituted phenyl ring and the pyridazine ring are inclined to each other, making a dihedral angle of 17.41?(13)° whereas the Cl-substituted phenyl ring is nearly orthogonal to the pyridazine ring [88.19?(13)°]. In the crystal, C-H?O hydrogen bonds generate dimers with R 2 2(10) and R 2 2(24) ring motifs which are linked by C-H?O inter-actions, forming chains extending parallel to the c-axis direction. The inter-molecular inter-actions were investigated using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing that the most significant contributions to the crystal packing are from H?H (44.5%), C?H/H?C (18.5%), H?O/H?O (15.6%), Cl?H/H?Cl (10.6%) and C?C (2.8%) contacts.
Project description:The asymmetric unit of the title dichloro-methane hemisolvate, C(24)H(33)N(5)S·0.5CH(2)Cl(2), comprises an adamantan-yl/triazole derivative and half a CH(2)Cl(2) mol-ecule of crystallization; the latter is disordered about a twofold axis of symmetry. The piperazine ring has a chair conformation and the two N-bound substituents occupy equatorial positions. The piperazine residue is almost normal to the triazole ring [N-N-C-N torsion angle = -79.9?(3)°] so that to a first approximation, the mol-ecule has an L-shape. Linear supra-molecular chains parallel to  are formed via C-H?S inter-actions. Two such chains are linked into a double chain via C-H?Cl inter-actions involving the disordered CH(2)Cl(2) mol-ecules of solvation.