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Ethyl N-[(benz-yloxy)thio-carbon-yl]carbamate.

ABSTRACT: In the title compound, C(11)H(13)NO(3)S, the dihedral angle between the benzyl and carbamate groups is 12.67 (10)°. The S atom and the carbonyl O atom are positioned anti to each other. In the crystal, pairs of N-H⋯S hydrogen bonds link mol-ecules into inversion dimers.

SUBMITTER: Kang SK

PROVIDER: S-EPMC3274993 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of O-ethyl N-(eth-oxy-carbon-yl)thio-carbamate.

Project description:The title compound, C6H11NO3S, provides entries to novel carbamoyl disulfanes and related compounds of inter-est to our laboratory. The atoms of the central O(C=S)N(C=O)O fragment have an r.m.s. deviation of 0.1077 Å from the respective least-squares plane. While several conformational orientations are conceivable, the crystal structure shows only the one in which the carbonyl and the thio-carbonyl moieties are anti to each other across the central conjugated C-N-C moiety. Pairs of 2.54 Å N-H⋯S=C hydrogen bonds between adjacent mol-ecules form centrosymmetric dimers in the crystal.

| S-EPMC4647380 | biostudies-literature

tert-Butyl N-(4-hy-droxy-benz-yl)-N-[4-(prop-2-yn-yloxy)benz-yl]carbamate.

Project description:In the crystal structure of the title compound, C(22)H(25)NO(4), inter-molecular O-H?O hydrogen bonds involving the hy-droxy group of the 4-(amimometh-yl)phenol fragment and the C=O group connect the mol-ecules into infinite chains along the c axis. Two C atoms of the propyne group are disordered over two sites with occupancy factors of 0.53?(2) and 0.47?(2).

| S-EPMC3201299 | biostudies-literature

3-{[(Benz-yloxy)carbon-yl]amino}-butanoic acid.

Project description:In the title compound, C(12)H(15)NO(4), the butyric acid group has a stretched trans conformation. The dihedral angle between the phenyl ring and the oxycarb-oxy-amino N-(C=O)-O-C plane is 56.6?(2)°. In the crystal, an inversion dimer is formed by a pair of O-H?O hydrogen bonds. The dimers are further linked by N-H?O hydrogen bonds between amide groups, forming a tape along the b axis.

| S-EPMC3201247 | biostudies-literature

Ethyl (4-{[(di-ethyl-carbamo-thio-yl)sulfan-yl]meth-yl}-2-oxo-2H-chromen-7-yl)carbamate.

Project description:In the title compound, C18H22N2O4S2, the 2H-chromene ring system is essentially planar (r.m.s. deviation = 0.012 Å). The mol-ecular conformation is stabilized by a C-H⋯O hydrogen bond. In the crystal, N-H⋯S and C-H⋯O hydrogen bonds occur, the former enclosing an R (2) 2(22) ring motif, and lead to the formation of a two-dimensional slab-like network lying parallel to (10-1). π-π inter-actions are observed between inversion-related aromatic rings [shortest centroid-centroid distance = 3.6300 (11) Å].

| S-EPMC3998360 | biostudies-literature

Isopropyl N-[1'-(methoxy-carbon-yl)ferro-cen-yl]carbamate-ethyl N-[1'-(methoxy-carbon-yl)ferrocen-yl]carbamate (0.6/0.4).

Project description:Herein we report the crystal structure and synthesis of two cocrystallized complexes, [Fe(C(7)H(7)O(2))(C(9)H(12)NO(2))](0.6)[Fe(C(7)H(7)O(2))(C(8)H(10)NO(2))](0.4). The molecules crystallize as layers in the bc plane with van der Waals interactions allowing the alkyl chains to interact and the ferrocene units to form a herringbone pattern up the c axis. Every second layer is linked via N-H⋯O hydrogen bonding.The two complexes were modelled as disordered in a ratio of 0.60:0.40.

| S-EPMC2968887 | biostudies-literature

(E)-4-(Benz-yloxy)benzaldehyde thio-semicarbazone.

Project description:In the title compound, C(15)H(15)N(3)OS, the thio-semicarbazone group adopts an E configuration with respect to the C=N bond. The benzaldehyde thio-semicarbazone fragment is almost planar [maximum deviation = 0.012?(1)?Å], while the dihedral angle between the benz-yloxy and phenyl rings is 72.48?(5)°. In the crystal structure, mol-ecules are inter-connected by N-H?N and N-H?S hydrogen bonds, forming a two-dimensional network parallel to the bc plane and are further stacked along the a axis by ?-? inter-actions [centroid-centroid separation 3.9043?(7)?Å]. The crystal structure is also stabilized by C-H?? inter-actions.

| S-EPMC2961576 | biostudies-literature

Ethyl ent-15?-[(2-nitro-benz-yloxy)meth-yl]-16-oxobeyeran-20-oate.

Project description:In the title compound, C(30)H(41)NO(6), the three six-membered rings adopt chair conformations and the stereochemistry of the A/B and B/C ring junctions are trans. The five-membered ring D adopts an envelope conformation, with the methyl-ene C atom as the flap. The title compound was synthesized via esterification, Tollens reaction, 1,5-hydride shift from the natural tetracyclic diterpenoid isosteviol.

| S-EPMC3414277 | biostudies-literature

Ethyl ent-15?-[(2-meth-oxy-benz-yloxy)meth-yl]-16-oxobeyeran-20-oate.

Project description:The title compound, C(31)H(44)O(5), was synthesized from isostev-iol (systematic name: ent-16-ketobeyeran-19-oic acid). In the mol-ecule, the three six-membered rings adopt chair conformations and the stereochemistry of the A/B and B/C ring junctions are trans. The five-membered ring D adopts an envelope conformation with the methyl-ene C atom as the flap.

| S-EPMC3275241 | biostudies-literature

5,7-Bis(benz-yloxy)-2-[4-(benz-yloxy)phen-yl]-4H-chromen-4-one.

Project description:In the title compound, C(36)H(28)O(5), the terminal benzene rings are twisted at dihedral angles of 6.75?(12), 70.86?(14) and 82.02?(12)° with the respect to the central plana r[maximum deviation = 0.070?(3)?Å] chromen-4-one ring system. In the crystal structure, ?-? stacking is observed between parallel benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.7459?(16)?Å].

| S-EPMC2980130 | biostudies-literature

(4S,5R)-4-Benz-yloxy-5-[4-(cyclo-hexa-ne-carbon-yl)phen-yl]-1-(4-meth-oxy-benz-yl)pyrrolidin-2-one.

Project description:The title compound, C32H35NO4, is an unexpected product obtained in the SmI2-mediated radical cross-coupling of a lactam 2-pyridyl sulfone with an arone. The asymmetric unit contains two mol-ecules. In both mol-ecules, the core pyrrolidinone ring adopts an approximate envelope conformation (with the C atom bearling the benzyloxy substituent as the flap) and the cyclo-hexyl ring has a chair conformation. The relative orientation of the two substitutent groups at the 4- and 5-positions of the pyrrolidinone ring is anti in both mol-ecules, with O(benz-yloxy)-C-C-C(benzene) torsion angles of 150.8 (3) and 154.2 (2)°. In the crystal, C-H⋯O inter-actions involving carbonyl groups as acceptors lead to the formation of a tape motif propagating parallel to the a-axis direction.

| S-EPMC3998611 | biostudies-literature

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