Dataset Information



ABSTRACT: The asymmetric unit of the title compound, C(11)H(10)ClN(3)O, contains two geometrically different mol-ecules, A and B, in both of which the pyridazine rings are essentially planar with r.m.s. deviations of 0.0137 and 0.0056Å, respectively. In mol-ecule A, the dihedral angle between the pyridazine and benzene rings is 6.5?(2)°, whereas in mol-ecule B it is 27.93?(7)°. In mol-ecule B, an intramolecular N-H?O hydrogen bond forms an S(5) ring motif. In both molecules, S(6) ring motifs are present due to non-classical C-H?N hydrogen bonds. The ?-? inter-actions between the pyridazine rings of A mol-ecules [3.4740?(13)?Å] and B mol-ecules [3.4786?(17)?Å] have very similar centroid-centroid separations. ?-? Inter-actions also occur between the benzene rings of B mol-ecules with a centroid-centroid separation of 3.676?(2)?Å and a slippage of 1.02?Å. In the crystal, the mol-ecules are linked into chains extending along [010] by C-H?N and C-H?Cl interactions.

PROVIDER: S-EPMC3275194 | BioStudies |

REPOSITORIES: biostudies

Similar Datasets

| S-EPMC3275001 | BioStudies
2009-01-01 | S-EPMC2969805 | BioStudies
| S-EPMC3151932 | BioStudies
| S-EPMC3379323 | BioStudies
2010-01-01 | S-EPMC3007844 | BioStudies
2012-01-01 | S-EPMC3344457 | BioStudies
2009-01-01 | S-EPMC2977493 | BioStudies
| S-EPMC3089359 | BioStudies
| S-EPMC3008022 | BioStudies
| S-EPMC2970051 | BioStudies