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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 |

REPOSITORIES: biostudies-literature

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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.

| S-EPMC3120628 | biostudies-literature

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.

| S-EPMC3050335 | biostudies-literature

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).

| S-EPMC3007027 | biostudies-literature

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 ?-? 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.

| S-EPMC2980243 | biostudies-literature

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 ?-electron delocalization is present in the benzene ring and extends over the exocyclic C-S and C-C bonds.

| S-EPMC2970427 | biostudies-literature

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.

| S-EPMC2979532 | biostudies-literature

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.

Project description:In the title compound, C14H18O8, (I), the meth-oxy-carbonyl [-C(=O)OCH3] and the acetic acid [-CH2C(=O)OH] groups are inclined to the benzene ring by 79.24?(11) and 76.71?(13)°, respectively, and are normal to each other with a dihedral angle of 90.00?(13)°. In the crystal, mol-ecules are linked by a pair of O-H?O hydrogen bonds forming the familiar acetic acid inversion dimer. The dimers are linked by two C-H?O hydrogen bonds and an offset ?-? inter-action [inter-centroid distance = 3.6405?(14)?Å], forming layers lying parallel to the (10) plane. The layers are linked by a third C-H?O hydrogen bond and a C-H?? inter-action to form a supra-molecular framework.

| S-EPMC7336770 | biostudies-literature

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

Project description:The title compound, C(21)H(20)O(2)S(2), forms a propeller-shaped structure with the tetra-hedral C atom as the central hub and meth-oxy-benzene and phenyl residues as radiating blades. Short C-H?? contacts are observed.

| S-EPMC3297852 | biostudies-other

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 ?-? stacking inter-action is also observed [centroid-centroid distance = 3.7330?(7)?Å].

| S-EPMC3394044 | biostudies-literature

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.

| S-EPMC4555440 | biostudies-literature

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