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Methyl 2-(tert-but-oxy-carbonyl-amino)-1,3-thia-zole-5-carboxyl-ate.

ABSTRACT: The title compound, C(10)H(14)N(2)O(4)S, was synthesized by the reaction of methyl 2-amino-thia-zole-5-carboxyl-ate and di-tert-butyl carbonate. In this structure, the thia-zole ring is planar (mean deviation = 0.0011 Å). Two weak intra-molecular C-H⋯O hydrogen bonds are formed between two of the methyl groups and one carbonyl O atom, resulting in the formation of two twisted six-membered rings. Inter-molecular N-H⋯N hydrogen bonds link the mol-ecules to form centrosymmetric dimeric units, and the hydrogen-bond scheme is completed by inter-molecular C-H⋯O contacts.

SUBMITTER: An K

PROVIDER: S-EPMC3007983 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Ethyl 2-(tert-butoxy-carbonyl-amino)-1,3-benzothia-zole-6-carboxyl-ate.

Project description:In the crystal of the title compound, C(15)H(18)N(2)O(4)S, inversion dimers are formed by inter-molecular N-H?N hydrogen bonds and weak C-H?O contacts. These dimers stack up along [100] through inversion-related ?-? inter-actions between thia-zole rings [centroid-centroid distance = 3.790?(2)?Å] and the thia-zole and benzene rings [centroid-centroid distance = 3.845?(2)?Å] and C-H?? contacts.

| S-EPMC2984018 | biostudies-literature

Ethyl 2-phenyl-5-trifluoro-methyl-1,3-thia-zole-4-carboxyl-ate.

Project description:In the title compound, C(13)H(10)F(3)NO(2)S, the dihedral angle between the thia-zole and phenyl rings is 5.15?(1)°. No inter-molecular hydrogen bonding is observed in the crystal structure.

| S-EPMC2959226 | biostudies-literature

Ethyl 2-[(tert-but-oxy-carbon-yl)amino]-thia-zole-5-carboxyl-ate.

Project description:In the crystal of the title compound, C(11)H(16)N(2)O(4)S, molecules are linked via pairs of N-H?N hydrogen bonds to form inversion dimers. The dimers are linked by a weak C-H?O interaction to form chains propagating along direction [100].

| S-EPMC3295515 | biostudies-other

Methyl 2-[2-(tert-but-oxy-carbonyl-amino)-1,3-benzothia-zole-6-carboxamido]-acetate.

Project description:In the title compound, C(16)H(19)N(3)O(5)S, the dihedral angle between the benzene ring and the carbonyl-amino group is 18.18?(2)°. In the crystal, mol-ecules form centrosymmetric dimers via pairs of N-H?N hydrogen bonds. The dimers are connected via N-H?O hydrogen bonds into a three-dimensional network..

| S-EPMC3254462 | biostudies-other

Ethyl 4-[(4-chloro-phen-oxy)meth-yl]-2-(4-nitro-phen-yl)-1,3-thia-zole-5-carboxyl-ate.

Project description:The title compound, C(19)H(15)ClN(2)O(5)S, contains two mol-ecules (A and B) in the asymmetric unit. In mol-ecule A, the dihedral angles between the thia-zole ring and the pendant chloro-benzene and nitro-benzene rings are 72.14?(15) and 3.03?(15)°, respectively. The corresponding angles for mol-ecule B are 45.56?(16) and 1.51?(14)°, respectively. In the crystal, both mol-ecules form inversion dimers linked by pairs of weak C-H?O inter-actions.

| S-EPMC3239066 | biostudies-literature

Ethyl 3-eth-oxy-carbonyl-methyl-7-methyl-5-phenyl-5H-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.

Project description:In the title compound, C(20)H(22)N(2)O(4)S, the central pyrimidine ring incorporating a chiral C atom is significantly puckered and adopts a slight boat conformation with C atom bearing the phenyl ring and the N atom opposite displaced by 0.367?(2) and 0.107?(2)?Å, respectively, from the plane formed by the remaining ring atoms. The benzene ring is positioned axially to the pyrimidine ring, making a dihedral angle of 88.99?(5)°. The thia-zole ring is essentially planar (r.m.s. deviation = 0.0033?Å). In the crystal, pairs of C-H?O inter-actions result in centrosymmetric dimers with graph-set motifs R(1) (2)(7) and R(2) (2)(8). A weak C-H?? contact is also observed.

| S-EPMC3470232 | biostudies-literature

Bis(2-amino-4-methyl-1,3-thia-zole-?N)dichloridocadmium(II).

Project description:In the title compound, [CdCl(2)(C(4)H(6)N(2)S)(2)], the Cd(II) atom is coordinated by two chlorido ligands and two N atoms of the 2-amino-5-methyl-1,3-thia-zole (amtz) ligands in a slightly distorted tetra-hedral coordination geometry. Intra- and inter-molecular N-H?Cl hydrogen bonding stabilizes the crystal structure. A weak S?Cl inter-action [3.533?(2)?Å] is observed between neighboring mol-ecules.

| S-EPMC2959461 | biostudies-literature

Methyl 2-(2-amino-1,3-thia-zol-4-yl)-2-[(Z)-methoxy-carbonyl-methoxy-imino]ethano-ate.

Project description:In the mol-ecule of the title compound, C(9)H(11)N(3)O(5)S, the thia-zole ring is oriented at dihedral angles of 87.33?(3) and 87.18?(3)° with respect to the planar (r.m.s. deviations 0.0136 and 0.0139?Å) methyl ester groups. The dihedral angle between the methyl ester groups is 44.20?(3)°. In the crystal structure, inter-molecular N-H?N, N-H?O and C-H?O hydrogen bonds link the mol-ecules along the a axis, through R(2) (2)(8) and R(2) (2)(22) ring motifs, forming infinite two-dimensional polymeric sheets. ?-? Contacts between the thia-zole rings [centroid-centroid distance = 3.536?(2)?Å] may further stabilize the structure.

| S-EPMC2969052 | biostudies-literature

Crystal structure of (1,3-thia-zole-2-carboxyl-ato-?<i>N</i>)(1,3-thia-zole-2-carb-oxy-lic acid-?<i>N</i>)silver(I).

Project description:The linear two-coordinate silver (I) complex [Ag(C4H2NO2S)(C4H3NO2S)] or [Ag(2-Htza)(2-tza)] is reported (2-Htza = 1,3-thia-zole-2-carb-oxy-lic acid). The AgI ion is coordinated by two heterocyclic N atoms from two ligands in a linear configuration, forming a discrete coordination complex. There is an O-H?O hydrogen bond between 2-tza- and 2tzaH of adjacent complexes. The hydrogen atom is shared between the two oxygen atoms. This inter-action produces a hydrogen-bonded tape parallel to the [110] direction, which is augmented through inter-molecular C-H?O hydrogen-bonding inter-actions between the bound thia-zole groups. There is a further rather long Ag?O inter-action [2.8401?(13)?Å, compared with a mean of 2.54?(11)?Å for 23 structures in the CSD] that assembles these tapes into columns, between which there are C-H?? inter-actions, leading to the formation of a three-dimensional supra-molecular architecture.

| S-EPMC6362641 | biostudies-literature

tert-Butyl 3-[N-(tert-butoxy-carbonyl)methyl-amino]-4-methoxy-imino-3-methyl-piperidine-1-carboxyl-ate.

Project description:The title compound, C(18)H(33)N(3)O(5), was prepared from N-tert-butoxy-carbonyl-4-piperidone using a nine-step reaction, including condensation, methyl-ation, oximation, hydrolysis, esterification, ammonolysis, Hoffmann degradation, tert-butoxy-carbonyl protection and methyl-ation. The E configuration of the methyl-oxime geometry of the compound is confirmed.

| S-EPMC2968324 | biostudies-other

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