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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.

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

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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.

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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). ?-? inter-actions are observed between inversion-related aromatic rings [shortest centroid-centroid distance = 3.6300?(11)?Å].

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(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.

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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.

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

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[3,5-Bis(benz-yloxy)phen-yl]methanol.

Project description:In the title compound, C(21)H(20)O(3), the two terminal phenyl rings are each approximately perpendicular to the central benzene ring, making dihedral angles of 84.40?(16) and 75.12?(15)°. The H atom of the hydr-oxy group is disordered over two positions with equal occupancies. The mol-ecules are linked by O-H?O hydrogen bonds, forming a chain along the a axis.

| S-EPMC2977662 | biostudies-literature

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