ABSTRACT: In the title compound, C17H17N3O3 (.)0.5H2O, the indazole system makes a dihedral angle of 46.19?(8)° with the plane through the benzene ring and is nearly perpendicular to the allyl group, as indicated by the dihedral angle of 81.2?(3)°. In the crystal, the water mol-ecule, disordered over two sites related by an inversion center, forms O-H?N bridges between indazole N atoms of two sulfonamide mol-ecules. It is also connected via N-H?O inter-action to the third sulfonamide mol-ecule; however, due to the water mol-ecule disorder, only every second mol-ecule of sulfonamide participates in this inter-action. This missing inter-action results in a slight disorder of the sulfonamide S,O and N atoms which are split over two sites with half occupancy. With the help of C-H?O hydrogen bonds, the mol-ecules are further connected into a three-dimensional network.
Project description:The title mol-ecule, C(17)H(16)N(4), is a bis-indazole crystallized in the rare 2H-tautomeric form. Indazole heterocycles are connected by a propane C(3) chain, and the mol-ecule is placed on a general position, in contrast to the analogous compound with a central C(2) ethane bridge, which was previously found to be placed on an inversion center in the same space group. In the title mol-ecule, indazole rings make a dihedral angle of 60.11?(7)°, and the bridging alkyl chain displays a trans conformation, resulting in a W-shaped mol-ecule. In the crystal, mol-ecules inter-act weakly through ?-? contacts between inversion-related pyrazole rings, with a centroid-centroid separation of 3.746?(2)?Å.
Project description:The asymmetric unit of the title compound, C17H17N3O2S, contains two independent mol-ecules linked by an N-H?O hydrogen bond. The mol-ecules show different conformations. In the first mol-ecule, the fused five- and six-membered ring system is almost perpendicular to the plane through the atoms forming the allyl group, as indicated by the dihedral angle of 85.1?(4)°. The dihedral angle with the methyl-benzene-sulfonamide group is 78.8?(1)°. On the other hand, in the second mol-ecule, the dihedral angles between the indazole plane and the allyl and methyl-benzene-sulfonamide groups are 80.3?(3) and 41.5?(1)°, respectively. In the crystal, mol-ecules are further linked by N-H?N and C-H?O hydrogen bonds, forming a three-dimensional network.
Project description:In the title compound, C16H14ClN3O4S, the six-membered ring of the indazole group is connected to a sulfonamide group. The indazole system is essentially planar, with the greatest deviation from the mean plane being 0.007?(2)?Å. The dihedral angle between the two six-membered rings is 74.99?(9)°. The crystal structure exhibits inversion dimers in which mol-ecules are linked by pairs of N-H?O and C-H?O hydrogen bonds.
Project description:The asymmetric unit of the title co-crystal, C12H14N4O2S·0.5C6H12N2, comprises the sulfonamide mol-ecule and half a mol-ecule of 1,4-di-aza-bicyclo-[2.2.2]octane (DABCO), the latter being disposed about a crystallographic twofold rotation axis. In the sulfonamide mol-ecule, the aromatic rings are almost perpendicular to one another [dihedral angle = 75.01?(8)°]. In the crystal, mol-ecules are connected into a three-mol-ecule aggregate via amide-DABCO N-H?N hydrogen bonds, and these are connected into a three-dimensional architecture via amino-DABCO N-H?O and amino-pyrimidine N-H?N hydrogen bonds.
Project description:In the title solvate, C(11)H(11)N(3)O(2)S·CH(3)NO(2), the dihedral angle between the benzene ring and the N-containing ring is 85.94?(11)°, and an approximate V shape arises for the sulfonamide mol-ecule. In the crystal, N-H?O and N-H?N hydrogen bonds and weak C-H?O inter-actions link the sulfonamide mol-ecules into a three-dimensional network. The nitro-methane solvent mol-ecules are located in the inter-stitial sites in the sulfonamide network.
Project description:In the title compound, C(11)H(16)N(2)O(3)S, the S atom has a distorted tetra-hedral geometry [maximum deviation: O-S-O = 119.48?(15)°]. The dihedral angles between the benzene ring and its propyl-sulfonamide and methyl-amide substituents are 71.8?(2) and 5.8?(1)°, respectively. In the crystal, mol-ecules are linked by N(m)-H?O(s) (m = methyl-amide and s = sulfonamide) hydrogen bonds, forming C(8) chains along the a axis. The two mol-ecule chains are connected by N-H?O hydrogen bonds, generating R(3) (2)(18) rings. The crystal packing is further stabilized by weak inter-molecular C-H?O hydrogen bonds.
Project description:In the title mol-ecule, C(16)H(11)N(5), the mean planes of the quinoxaline and indazole fragments form a dihedral angle of 10.62?(5)°. In the crystal, weak inter-molecular N-H?N hydrogen bonds link the mol-ecules into zigzag chains extending in the  direction. The crystal packing also exhibits ?-? inter-actions [centroid-centroid distances of 3.7080?(2) and 3.8220?(5)?Å], which form stacks of the mol-ecules parallel to the a axis.
Project description:In the title compound, C(7)H(8)N(2)O(5)S·C(2)H(6)O, the dihedral angle between the aromatic ring and the nitro group is 8.78?(9)° and the S atom is displaced by 0.226?(3)?Å from the plane of the aromatic ring. In the crystal, the ethanol mol-ecule is involved in hydrogen bonding to two separate sulfonamide mol-ecules, as a donor in an O-H?O inter-action and as an acceptor in an N-H?O inter-action. Weak C-H?O hydrogen bonding is also present.
Project description:The asymmetric unit of the title compound, C10H9N3O2, contains two independent mol-ecules linked by a C-H?N hydrogen bond. Each mol-ecule has a similar conformation, being built up from fused five- and six-membered rings, each linked to an ally and nitro group, respectively. The indazole ring system makes dihedral angles of 2.7?(2) and 2.2?(2)°, respectively, with the plane through the nitro group. The allyl group is nearly perpendicular to the indazole system, as indicated by the N-N-C-C torsion angles of -75.3?(2) and -82.2?(2)°, this being the most important difference between the conformations of the two mol-ecules. In the crystal, mol-ecules are linked by C-H?O and ?-? [inter-centroid distance = 3.6225?(8)?Å] inter-actions to form a three-dimensional network.
Project description:The title compound, C12H17N3OS, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the benzene ring and the hydrazinecarbo-thio-amide group are 6.9?(4) and 37.2?(5)° in mol-ecules A and B, respectively. An intra-molecular O-H?N hydrogen bond is observed in each mol-ecule. This serves to maintain an approximately planar conformation for mol-ecule A, but leaves a significant twist between these two groups in mol-ecule B. In the crystal, a weak N-H?S inter-action is observed, forming inversion dimers among the B mol-ecules and resulting in an R 2 (2)(8) motif. These dimers are further inter-connected by weak N-H?O and C-H?O inter-molecular inter-actions, forming chains along .