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Ethyl 3-[7-eth-oxy-6-(4-meth-oxy-benzene-sulfonamido)-2H-indazol-2-yl]propano-ate.

ABSTRACT: In the title compound, C(21)H(25)N(3)O(6)S, the dihedral angle between the meth-oxy-benzene and indazole rings is 74.96 (5)°. The crystal packing is stabilized by an N-H⋯O hydrogen bond into a two-dimensional network. In addition, C-H⋯π inter-actions and a π-π contact, with a centroid-centroid distance of 3.5333 (6) Å, are observed. The crystal packing is stabilized by N-H⋯O and C-H⋯O hydrogen bonds.

SUBMITTER: Abbassi N

PROVIDER: S-EPMC3343913 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Ethyl 3-[6-(4-meth-oxy-benzene-sulfon-amido)-2H-indazol-2-yl]propano-ate monohydrate.

Project description:In the title compound, C(19)H(21)N(3)O(5)S·H(2)O, the central indazole system is essentially planar (r.m.s. deviation = 0.012?Å), while both the benzene ring and the mean plane defined by the non-H atoms of the ethyl propionic ester unit (r.m.s. deviation = 0.087?Å) are nearly perpendicular to the indazole plane, as indicated by the dihedral angles of 82.45?(8) and 75.62?(8)°, respectively. Consequently, the mol-ecule adopts a U-shaped geometry. In the crystal, the water mol-ecule, which is linked to the indazole system by a strong O-H?N hydrogen bond, is also involved in two additional N-H?O and O-H?O inter-actions, which link the organic mol-ecules into chains along the b-axis direction.

| S-EPMC3569252 | biostudies-literature

Ethyl 3-[7-(N-acetyl-4-meth-oxy-benzene-sulfonamido)-3-chloro-2H-indazol-2-yl]propionate.

Project description:In the title compound, C21H22ClN3O6S, the fused five- and six-membered ring rings are almost perpendicular to the planes through the atoms forming the acetyl and the propionic ester groups, as indicated by the dihedral angles of 80.3 (2) and 88.3 (7)°, respectively. The dihedral angle between the indazole system and the 4-meth-oxy-benzene-sulfonyl group is 13.76 (6)°. The carbonyl O atom is split over two positions in a 0.60 (5):0.40 (5) ratio. In the crystal, mol-ecules are linked by C-H⋯O and C-H⋯N inter-actions into a three-dimensional network.

| S-EPMC3998507 | biostudies-literature

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

Project description: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.

| S-EPMC4011273 | biostudies-literature

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

Project description:The indazole ring system of the title compound, C17H18ClN3O4S, is almost planar (r.m.s. deviation = 0.0113?Å) and forms dihedral angles of 32.22?(8) and 57.5?(3)° with the benzene ring and the mean plane through the 4-eth-oxy group, respectively. In the crystal, mol-ecules are connected by pairs of N-H?O hydrogen bonds into inversion dimers, which are further linked by ?-? inter-actions between the diazole rings [inter-centroid distance = 3.4946?(11)?Å], forming chains parallel to [101].

| S-EPMC4051022 | biostudies-literature

tert-Butyl N-[2-(N-isobutyl-4-meth-oxy-benzene-sulfonamido)-eth-yl]carbamate.

Project description:The title compound, C18H30N2O5S, was synthesized by the reaction of tert-butyl 2-(iso-butyl-amino)-ethyl-carbamate with p-meth-oxy-phenyl-sulfonyl chloride. In the mol-ecule, two intra-molecular C-H?O hydrogen bonds are observed. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds involving the imino group N atom and the ester group O atom into chains running parallel to the b axis. The chains are further connected by C-H?O hydrogen bonds, forming layers parallel to the bc plane.

| S-EPMC4051064 | biostudies-literature

N-[7-Eth-oxy-2-(prop-2-en-1-yl)-2H-indazol-6-yl]-4-methyl-benzene-sulfonamide.

Project description:In the title compound, C(19)H(21)N(3)O(3)S, the C-SO(2)-NH-C torsion angle is 66.20 (9)°. The dihedral angle between the benzene ring and the essentially planar indazole ring system [r.m.s. deviation = 0.0361 (1) Å] is 72.97 (6)°. The S atom has a distorted tetra-hedral geometry [maximum deviation = O-S-O = 119.30 (6)°]. The crystal structure features inversion-related dimers linked by pairs of N-H⋯O hydrogen bonds. In addition, weak C-H⋯O inter-actions may stabilize the crystal packing.

| S-EPMC3238876 | biostudies-literature

N-(1H-Indazol-5-yl)-4-meth-oxy-benzene-sulfonamide.

Project description:In the title compound, C14H13N3O3S, the fused ring system is almost planar, the largest deviation from the mean plane being 0.023?(2)?Å, and makes a dihedral angle of 47.92?(10)° with the benzene ring of the benzene-sulfonamide moiety. In the crystal, mol-ecules are connected through N-H?O hydrogen bonds and weak C-H?O contacts, forming a two-dimensional network which is parallel to (010).

| S-EPMC3884352 | biostudies-literature

4-[(4-Meth-oxy-benzene-sulfonamido)-meth-yl]cyclo-hexane-1-carb-oxy-lic acid.

Project description:In the title compound, C(15)H(21)NO(5)S, two crystallographically independent mol-ecules are linked into a dimer by a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. In the crystal, mol-ecules are further linked by inter-molecular O-H⋯O hydrogen bonds into a two-dimensional network parallel to (012). Additional stabilization is provided by weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3200917 | biostudies-literature

N-(7-Eth-oxy-1H-indazol-4-yl)-4-methyl-benzene-sulfonamide.

Project description:The mol-ecule of the title heterocyclic compound, C(16)H(17)N(3)O(3)S, is bent at the S atom with an C-SO(2)-NH-C torsion angle of 80.17?(8)°. The phenyl substituent at the S atom is rotated out of the plane of the 1H-indazole ring [inter-planar angle = 46.24?(8)°]. In the crystal, inter-molecular N-H?N and N-H?O hydrogen bonds build up a ribbon developing parallel to the b-axis direction. C-H?O hydrogen bonds link these ribbons, forming a layer parallel to the bc plane.

| S-EPMC3120551 | biostudies-literature

(2R,3S)-Methyl 2-hy-droxy-3-(4-methyl-benzene-sulfonamido)-3-phenyl-propano-ate.

Project description:In the title mol-ecule, C(17)H(19)NO(5)S, the p-tolyl ring is oriented approximately parallel to the phenyl ring [dihedral angle = 17.2?(1)°], resulting in an intra-molecular ?-? inter-ation [centroid-centroid distance = 3.184?(10)?Å]. In the crystal, mol-ecules are linked through O-H?O and C-H?O hydrogen bonds, forming hydrogen-bonded sheets lying diagonally across the ac face.

| S-EPMC3011734 | biostudies-literature

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