Erythro-{1-Bromo-1-[(1-phenylethyl)sulfonyl]ethyl}benzene
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ABSTRACT:
SUBMITTER: Corfield P
PROVIDER: S-EPMC10993556 | biostudies-literature | 2024 Mar
REPOSITORIES: biostudies-literature
Similar Datasets
Project description:The overall conformation of the title mol-ecule, C(14)H(11)BrO(3)S, is L-shaped, as seen in the value of the dihedral angle formed between the terminal benzene rings of 75.44?(13)°. The presence of C-H?O inter-actions leads to the formation of linear supra-molecular chains along the a-axis direction in the crystal structure. These are connected into supra-molecular arrays in the ab plane via C-H?? contacts.
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Project description:The title compound, C(15)H(17)NO(2)S, exhibits intra-molecular hydrogen bonding between the amine H atom and a sulfonyl O atom. The conformation of the mol-ecule is described by the four PhCH(2)-NH-CH(2)-CH(2)-SO(2)Ph torsion angles of 79.6 (2), -166.21 (14), -70.29 (17) and -58.93 (13)°.
| S-EPMC3470312 | biostudies-literature
Project description:In the title compound, C21H17BrN2O4S2, the indole ring system subtends dihedral angles of 85.96 (13) and 9.62 (16)° with the planes of the N- and C-bonded benzene rings, respectively. The dihedral angles between the benzene rings is 88.05 (17)°. The mol-ecular conformation is stabilized by intra-molecular N-H⋯O and C-H⋯O hydrogen bonds and an aromatic π-π stacking [centroid-to-centroid distance = 3.503 (2) Å] inter-action. In the crystal, short Br⋯O [2.9888 (18) Å] contacts link the mol-ecules into [010] chains. The chains are cross-linked by weak C-H⋯π inter-actions, forming a three-dimensional network.
| S-EPMC4647446 | biostudies-literature
Project description:The title compound, C(12)H(10)BrN(3)O(3)S, crystallizes with two crystallographically independent mol-ecules in the asymmetric unit. The dihedral angles between the two six-membered rings in the mol-ecules are 34.1 (3) and 45.1 (2)°. In the crystal structure, mol-ecules are connected via N-H⋯O and N-H⋯N hydrogen bonding.
| S-EPMC2977211 | biostudies-literature
Project description:In the title mol-ecule, C(15)H(12)BrNO(2)S, the indole mean plane and phenyl ring are nearly orthogonal to each other, forming a dihedral angle of 88.19 (13)°. The Br atom is disordered over two close positions with occupancies of 0.56 (4) and 0.44 (4). The crystal packing exhibits weak inter-molecular C-H⋯π inter-actions.
| S-EPMC2960915 | biostudies-literature
Project description:In the title compound, C(14)H(10)Cl(2)O(2)S, the product of a base-catalyzed condensation followed by deca-rboxylation of the carboxyl-ate group of the sulfonyl derivative, the configuration of the alkene unit is E. The torsion angle between the alkene unit and the 2,6-dichloro-phenyl ring system is -40.8 (3)°. The dihedral angle between the rings is 80.39 (7)°.
| S-EPMC3089273 | biostudies-literature
Project description:In the title compound, C28H23NO4S2, the indole ring system (r.m.s. deviation = 0.007 Å) subtends dihedral angles of 78.69 (13) and 38.97 (13)° with the planes of the N- and C-bonded sulfonyl-benzene rings, respectively, and these two benzene rings are inclined to each other at an angle of 65.45 (16)°. The methyl-ene-linked phenyl ring is twisted at an angle of 81.80 (13)° from the indole ring. The mol-ecular structure features two short intra-molecular C-H⋯O contacts, which both generate S(6) rings. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds and C-H⋯π inter-actions, generating a three-dimensional network.
| S-EPMC4719875 | biostudies-literature
Project description:The whole mol-ecule of the title compound, C20H19NO4S2, is generated by twofold rotational symmetry. The N atom is located on the twofold rotation axis and has a trigonal-planar geometry. It is bonded by two S atoms of two symmetry-related 4-methyl-phenyl-sulfonyl groups and by the C atom of the phenyl ring, which is bis-ected by the twofold rotation axis. The benzene and phenyl rings are oriented at a dihedral angle of 51.48 (5)° while the pendant benzene rings are inclined to one another by 87.76 (9)°. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules, forming a three-dimensional network.
| S-EPMC3998411 | biostudies-literature
Project description:In the title mol-ecule, C(19)H(18)N(2)O(4)S(2), the phenyl ring makes dihedral angles of 33.99 (2) and 43.70 (3)° with the two methyl-substituted benzene rings. Inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers. The crystal packing exhibits weak inter-molecular C-H⋯O hydrogen bonds.
| S-EPMC2960949 | biostudies-literature
Project description:The conformations of the N-H and C=O bonds in the SO(2)-NH-CO-C group of the title compound (N4BPSTMAA), C(11)H(14)BrNO(3)S, are trans to each other, similar to what is observed in N-(4-chloro-phenyl-sulfon-yl)-2,2,2-trimethyl-acet-amide (N4CPSTMAA) and 2,2,2-trimethyl-N-(4-methyl-phenyl--sulfon-yl)acetamide (N4MPSTMAA). The bond para-meters in N4BPSTMAA are similar to those in N4CPSTMAA, N4MPSTMAA, N-aryl-2,2,2-trimethyl-acet-amides and 4-bromo-benzene-sulfonamide. The benzene ring and the SO(2)-NH-CO-C group in N4BPSTMAA form a dihedral angle of 82.8 (1)°, comparable with the values of 82.2 (1)° in N4CPSTMAA and 71.2 (1)° in N4MPSTMAA. N-H⋯O hydrogen bonds form a centrosymmetric ring characterized by an R(2) (2)(8) motif.
| S-EPMC2962022 | biostudies-literature