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(Z)-Methyl 2-methoxy-imino-3-oxo-butanoate.

ABSTRACT: The title compound, C(6)H(9)NO(4), was prepared stereoselectively as a precursor for 1-aza-dienes in a study of hetero-Diels-Alder reactions. The configuration of the C=N double bond was found to be Z, corroborating earlier assignments of similar compounds based only on NMR and IR spectroscopic analysis.

SUBMITTER: Lu JY

PROVIDER: S-EPMC2960885 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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(Z)-Methyl 4-(1,3-benzothia-zol-2-yl-sulfan-yl)-2-(methoxy-imino)-3-oxo-butanoate.

Project description:In the mol-ecular structure of the title compound, C(13)H(12)N(2)O(4)S(2), there is a dihedral angle of 0.41 (13)° between the benzene and thia-zole rings. In the crystal, inversion dimers linked by two C-H⋯O inter-actions together with π-π stacking between the parallel benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.673 (2) Å].

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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. π-π Contacts between the thia-zole rings [centroid-centroid distance = 3.536 (2) Å] may further stabilize the structure.

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Bis(2-hydroxy-imino-methyl-6-methoxy-phenolato-?O,N)nickel(II).

Project description:The Ni atom in the title compound, [Ni(C(8)H(8)NO(3))(2)], lies on a center of inversion in a square-planar coordination enviroment. The hydroxyl group of one anion forms a short hydrogen bond to the metal-coordinated O atom of the other anion.

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tert-Butyl 3-carbamoyl-4-methoxy-imino-3-methyl-piperidine-1-carboxyl-ate.

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tert-Butyl 4-carbamoyl-3-methoxy-imino-4-methyl-piperidine-1-carboxyl-ate.

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Methyl 6-methoxy-carbonyl-methyl-2-oxo-4-phenyl-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

Project description:The title compound, C(15)H(16)N(2)O(5), belongs to the class of monastrol-type anti--cancer agents and was selected for crystal structure determination in order to determine the conformational details needed for subsequent structure-activity relationship studies. The central tetra-hydro-pyrimidine ring has a flat-envelope conformation. The 4-phenyl group occupies a pseudo-axial position and is inclined at an angle of ca 90° to the mean plane of the heterocyclic ring. Of the two methyl ester groups, one (in the 5-position) is in a coplanar and the other (in the 6-position) in a perpendicular orientation with respect to the heterocyclic plane. The coplanar 5-ester group has its carbonyl bond oriented cis with respect to the pyrimidine C=C double bond. By comparison of the structural results for the present compound with those determined previously for its diethyl analogue, we have identified the mol-ecular factors which control the dual course of the Biginelli reaction with salicylaldehyde. The crystal structure is dominated by two hydrogen bonds which link the mol-ecules into chains of dimers.

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