organic compounds
Open access
The title compound, C21H26NO4+·Br−, also known as R-methylnaltrexone (MNTX) bromide, is a selective peripherally acting μ-opioid receptor antagonist with a oroxymorphone skeleton, synthesized by hydroxyl protection, N-methylation, deprotection and anion exchange of naltrexone. It comprises a five-ring system A/B/C/D/E. Rings C and E adopt distorted chair conformations, whereas ring D is in half-chair conformation. The C/E ring junctions are trans fused. The dihedral angle between rings D and E is 82.3 (1)°, while the dihedral angles between the planes of rings C and A, and rings D and E are respectively 81.7 (1), 75.9 (1) and 12.2 (1)°. In the crystal, molecules are linked by O—HBr hydrogen bonds.
organic compounds
Open access
In the title compound, C8H5NOS2, the non-H atoms are approximately coplanar [maxium deviation = 0.060 (3) Å]. The dihedral angle between the least-squares planes of the pyridine and 1,3-dithiol-2-one rings is 5.96 (17)°. The crystal packing is stabilized by weak intermolecular C—HO hydrogen bonds and by an SS close contact [3.510 (5) Å].
metal-organic compounds
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The asymmetric unit of the title compound, [CdCl2(C7H10N2O2S)2], contains two complex molecules with similar configurations. The CdII atoms are each six-coordinated by two thiazole N and two carbonyl O atoms from the 2-(2-amino-1,3-thiazol-4-yl)acetate ligand, and by two Cl− anions in a distorted octahedral geometry. In the crystal, intra- and intermolecular N—HCl hydrogen bonds create parallel chains along [1-10]. C—HCl interactions also occur.
organic compounds
Open access
The title compound, C6H7O2S3+·BF4−, consists of a planar 2-thioxo-1,3-dithiol-4,5-yl unit [maximum deviation from the ring plane = 0.020 (3) Å], with an ethylenedioxy group fused at the 4,5-positions; the ethylenedioxy C atoms are disordered over two positions with site-occupancy factors of 0.5. The 1,4-dioxine ring has a twist-chair conformation. Weak cation–anion SF interactions [3.022 (4)–3.095 (4) Å] and an SO [3.247 (4) Å] interaction are present.
organic compounds
Open access
The complete molecule of the title compound, C16H14N4, is generated by crystallographic inversion symmetry. In the crystal, molecules are linked by N—HN hydrogen bonds, generating (001) sheets. Weak aromatic π–π stacking interactions [centroid–centroid distances = 3.7383 (13) and 3.7935 (14) Å] are also observed.