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N-(2-Allyl-4-eth-oxy-2H-indazol-5-yl)-4-methyl-benzene-sulfonamide.

ABSTRACT: The indazole ring system of the title compound, C19H21N3O3S, is almost planar (r.m.s. deviation = 0.0192?Å) and forms dihedral angles of 77.99?(15) and 83.9?(3)° with the benzene ring and allyl group, respectively. In the crystal, centrosymmetrically related mol-ecules are connected by pairs of N-H?O hydrogen bonds into dimers, which are further linked by C-H?O hydrogen bonds, forming columns parallel to the b axis.

SUBMITTER: Chicha H

PROVIDER: S-EPMC4011273 | BioStudies | 2014-01-01

REPOSITORIES: biostudies

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Crystal structure of N-(1-allyl-3-chloro-4-eth-oxy-1H-indazol-5-yl)-4-meth-oxybenzene-sulfonamide.

Project description:In the title compound, C19H20ClN3O4S, the benzene ring is inclined to the indazole ring system (r.m.s. deviation = 0.014?Å) by 65.07?(8)°. The allyl and eth-oxy groups are almost normal to the indazole ring, as indicated by the respective torsion angles [N-N-C-C = 111.6?(2) and C-C-O-C = -88.1?(2)°]. In the crystal, mol-ecules are connected by N-H?N hydrogen bonds, forming helical chains propagating along [010]. The chains are linked by C-H?O hydrogen bonds, forming a three-dimensional network.

1000-01-01 | S-EPMC4186176 | BioStudies

N-(1-Allyl-3-chloro-4-eth-oxy-1H-indazol-5-yl)-4-methyl-benzene-sulfonamide.

Project description:In the title compound, C19H20ClN3O3S, the benzene ring is inclined to the indazole ring system by 51.23?(8)°. In the crystal, mol-ecules are linked by pairs of N-H?O hydrogen bonds, forming inversion dimers which stack in columns parallel to [011]. The atoms in the allyl group are disordered over two sets of sites with an occupancy ratio of 0.624?(8):0.376?(8).

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N-(1-Allyl-1H-indazol-5-yl)-4-methyl-benzene-sulfonamide.

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.

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Ethyl 3,6-dihy-droxy-6-methyl-4-phenyl-4,5,6,7-tetra-hydro-1H-indazole-5-carboxyl-ate monohydrate.

Project description:In the title compound, C(17)H(20)N(2)O(4)·H(2)O, the cyclo-hexene ring adopts a half-chair conformation while the indazole ring is essentially planar [maximum deviation = 0.0192?(12)?Å]. In the crystal, pairs of inter-molecular O-H?N hydrogen bonds link the mol-ecules into dimers lying about inversion centers and intra-molecular O-H?O hydrogen bonds result in six-membered rings. The dimers are further connected by N-H?O and O-H?O hydrogen bonds.

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Crystal structure of N-(1-allyl-3-chloro-1H-indazol-5-yl)-4-methyl-benzene-sulfonamide.

Project description:The 3-chloro-1H-indazole system in the title mol-ecule, C17H16ClN3O2S, is almost planar, with the largest deviation from the mean plane being 0.029?(2)?Å for one of the N atoms. This system is nearly perpendicular to the allyl chain, as indicated by the C-C-N-N torsion angle of -90.1?(6)° between them. The allyl group is split into two fragments, the major component has a site occupancy of 0.579?(7). The indazole system makes a dihedral angle of 47.53?(10)° with the plane through the benzene ring. In the crystal, mol-ecules are connected by N-H?O and C-H?O hydrogen bonds, forming a three-dimensional network.

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N-(2-Allyl-4-chloro-2H-indazol-5-yl)-4-meth-oxy-benzene-sulfonamide hemi-hydrate.

Project description:The fused five- and six-membered rings in the title compound, C17H16ClN3O3S·0.5H2O, are practically coplanar, with the maximum deviation from the mean plane being 0.057?(3)?Å for the C atom bound to the exocyclic N atom. The indazole system makes a dihedral angle of 66.18?(12)° with the plane through the benzene ring, and it is nearly perpendicular to the allyl group, as indicated by the N-N-C-C torsion angle of 79.2?(3)°. In the crystal, the water mol-ecule, lying on a twofold axis, forms O-H?N and accepts N-H?O hydrogen bonds. Additional C-H?O hydrogen bonds contribute to the formation of a chain along the b-axis direction.

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N-(1-Allyl-1H-indazol-5-yl)-4-meth-oxy-benzene-sulfonamide hemihydrate.

Project description: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.

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N-(3-Chloro-1-methyl-1H-indazol-5-yl)-4-methylbenzene-sulfonamide.

Project description:The asymmetric unit of the title compound, C15H14ClN3O2S, contains two independent mol-ecules showing different conformations: in one mol-ecule, the indazole ring system makes a dihedral angle of 51.5?(1)° with the benzene ring whereas in the other, the indazole unit is almost perpendicular to the benzene ring [dihedral angle 77.7?(1)°]. In the crystal, the mol-ecules are linked by N-H?N and N-H?O hydrogen bonds, forming a set of four mol-ecules linked in pairs about an inversion centre.

2014-01-01 | S-EPMC3998334 | BioStudies

1-Allyl-3-chloro-5-nitro-1H-indazole.

Project description:In the title compound, C10H8ClN3O2, the indazole ring system makes a dihedral angle of 7.9?(3)° with the plane through the nitro group. The allyl group is rotated out of the plane of the indazole ring system [N-N-C-C torsion angle = 104.28?(19)°]. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming zigzag chains propagating along the b-axis direction.

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1-(Furan-2-yl)-2-(2H-indazol-2-yl)ethanone.

Project description:The asymmetric unit of the title compound, C13H10N2O2, contains two crystallographically independent mol-ecules (A and B). The indazole ring systems are approximately planar [maximum deviations = 0.0037?(15) and -0.0198?(15)?Å], and their mean planes are oriented at 80.10?(5) and 65.97?(4)° with respect to the furan rings in mol-ecules A and B, respectively. In the crystal, pairs of C-H?N hydrogen bonds link the B mol-ecules, forming inversion dimers. These dimers are bridged by the A mol-ecules via C-H?O hydrogen bonds, forming sheets parallel to (011). There are also C-H?? inter-actions present, and ?-? inter-actions between neighbouring furan and the indazole rings [centroid-centroid distance = 3.8708?(9)?Å] of inversion-related mol-ecules, forming a three-dimensional structure.

1000-01-01 | S-EPMC3998540 | BioStudies

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