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2-[(Meth-oxy-carbonothio-yl)sulfan-yl]acetic acid.

ABSTRACT: The title compound, C(4)H(6)O(3)S(2), features a characteristic xanthate group; the C=S double bond is shorter than the C-S single bond, and the methyl group is coplanar with the xanthate group. In the crystal pairs of mol-ecules form dimers through inter-molecular O-H⋯O hydrogen bonding.

SUBMITTER: Xiao S

PROVIDER: S-EPMC3051980 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

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2-[(Meth-oxy-carbonothio-yl)sulfan-yl]acetic acid.

Xiao Shude S Charpentier Paul A PA

Acta crystallographica. Section E, Structure reports online 20110205 Pt 3

The title compound, C(4)H(6)O(3)S(2), features a characteristic xanthate group; the C=S double bond is shorter than the C-S single bond, and the methyl group is coplanar with the xanthate group. In the crystal pairs of mol-ecules form dimers through inter-molecular O-H⋯O hydrogen bonding. ...[more]

PMID: 21522337

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2-[(Eth-oxy-carbonothio-yl)sulfan-yl]acetic acid.

Project description:In the title compound, C(5)H(8)O(3)S(2), the C-S and C-O bonds in the xanthate unit are shorter than those linked to it. In the crystal, inversion dimers linked by pairs of O-H⋯O hydrogen bonds occur.

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1-Meth-oxy-4-({[(4-meth-oxy-phen-yl)-sulfan-yl](phen-yl)meth-yl}sulfan-yl)benzene.

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2-[4-(Carb-oxy-meth-yl)phen-oxy]acetic acid.

Project description:The title compound, C(10)H(10)O(5), was obtained by the reaction of 4-hy-droxy-phenyl-acetic acid with chloro-acetic acid. In the crystal, the mol-ecules form a three-dimensional network by way of inter-molecular O-H⋯O hydrogen bonding.

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2-(3-Bromo-4-meth-oxy-phen-yl)acetic acid.

Project description:The title compound C(9)H(9)BrO(3), was synthesized by the regioselective bromination of 4-meth-oxy-phenyl-acetic acid using bromine in acetic acid in a 84% yield. In the mol-ecular structure, the meth-oxy group is almost coplanar with the phenyl ring within 0.06 Å; the acetic acid substituent is tilted by 78.15 (7)° relative to the ring. The C-C-C angles at the OMe, acetyl and Br substituents are 118.2 (2), 118.4 (2) and 121.5 (2)°, respectively, indicating that the Br atom is electron-withdrawing, whereas the other substituents possess electron-donating properties. In the crystal, the mol-ecules form centrosymmetric strongly O-H⋯O hydrogen-bonded dimers of the type R(2) (2)(8).

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2-(2-{[2-(2-Pyridylcarbon-yl)hydrazono]meth-yl}phen-oxy)acetic acid.

Project description:In the title compound, C(15)H(13)N(3)O(4), the pyridine and benzene rings are nearly coplanar [dihedral angle = 4.92 (12)°]. The maximum deviation from the best least-squares plane calculated for the main mol-ecular skeleton is 0.1722 (1) Å for the carbonyl O atom. In the crystal, inter-molecular O-H⋯O hydrogen bonds connect the mol-ecules into a chain, while π-π stacking inter-actions between the pyridine and benzene rings [centroid-centroid distance = 3.9162 (8) Å and offset angle = 27.20°] complete a two-dimensional network.

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2-(2-{[2-(4-Pyridylcarbon-yl)hydrazinyl-idene]meth-yl}phen-oxy)acetic acid.

Project description:In the title compound, C(15)H(13)N(3)O(4), the pyridine and benzene rings are nearly perpendicular [dihedral angle = 84.24 (5)°]. In the crystal structure, classical O-H⋯N hydrogen bonding between the OH group of the carboxyl unit and a neighbouring pyridine ring N atom and N-H⋯O hydrogen bonding between the imine NH group and a neighbouring O atom of an acyl unit, together with complementary non-classical C-H⋯O hydrogen bonds between carboxyl O atoms and neighbouring CH groups, link the mol-ecules into a three-dimensional system.

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The crystal structure, Hirshfeld surface analysis and energy frameworks of 2-[2-(meth-oxy-carbon-yl)-3,6-bis-(meth-oxy-meth-oxy)phen-yl]acetic acid.

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2-[(2-Carboxy-phen-yl)sulfan-yl]acetic acid.

Project description:The title compound, C(9)H(8)O(4)S, affords a zigzig chain in the crystal structure by inter-molecular O-H⋯O hydrogen bonds. The molecular geometry suggests that extensive but not uniform π-electron delocalization is present in the benzene ring and extends over the exocyclic C-S and C-C bonds.

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Crystal structure of 2-meth-oxy-2-[(4-meth-oxy-phen-yl)sulfan-yl]-1-phenyl-ethanone.

Project description:In the title β-thio-carbonyl compound, C16H16O3S, the adjacent meth-oxy and carbonyl O atoms are synperiplanar [the O-C-C-O torsion angle is 19.8 (4)°] and are separated by 2.582 (3) Å. The dihedral angle between the rings is 40.11 (16)°, and the meth-oxy group is coplanar with the benzene ring to which it is connected [the C-C-O-C torsion angle is 179.1 (3)°]. The most notable feature of the crystal packing is the formation of methine and methyl C-H⋯O(carbon-yl) inter-actions that lead to a supra-molecular chain with a zigzag topology along the c axis. Chains pack with no specific inter-molecular inter-actions between them.

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2-{2-[(E)-(2-Benzoyl-hydrazin-1-yl-idene)meth-yl]phen-oxy}acetic acid.

Project description:In the title compound, C(16)H(14)N(2)O(4), the dihedral angle between the aromatic rings is 12.45 (6)°. The central C(=O)-N-N=C bridge is roughly planar (r.m.s. deviation = 0.0346 Å) and makes dihedral angles of 13.01 (7) and 0.56 (7)° with the attached phenyl and benzene rings, respectively. The acetic acid unit (r.m.s. deviation = 0.0066 Å) is twisted from its attached benzene ring [dihedral angle = 19.48 (6)°]. In the crystal, mol-ecules are linked by O-H⋯(O,N), N-H⋯O and C-H⋯O hydrogen bonds into sheets lying parallel to the bc plane. A weak aromatic π-π stacking inter-action is also observed [centroid-centroid distance = 3.7330 (7) Å].

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