Crystal structure of (Z)-Ethyl 2-cyano-2-(3-phenylthiazolidin-2-ylidene) acetate, C14H14N2O2S

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Synthesis, tautomeric states and crystal structure of (Z)-ethyl 2-cyano-2-(3H-quinazoline-4-ylidene) acetate and (Z)-ethyl 2-cyano-2-(2-methyl-3H-quinazoline-4-ylidene) acetate.

The new compounds (Z)-ethyl 2-cyano-2-(3H- and 2-methyl-3H-quinazoline-4-ylidene) acetate (1 and 2, respectively) were synthesized by multi-step reactions. The structures in a solution have been determined by (1)H-NMR spectroscopy and in the crystal form by X-ray analysis. Molecule 1 crystallized in a primitive monoclinic cell, space group capital ER, P2(1/c). The cell dimensions are a=7.970(6)...

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Crystal structure of ethyl 2-cyano-2-(1,3-di­thian-2-yl­idene)acetate

The title compound, C9H11NO2S2, contains a 1,3-di-thiane ring which has a twist-boat conformation. The dihedral angle between the mean planes of the ethyl acetate group and the di-thiane ring is 17.56 (13)°. In the crystal, mol-ecules stack in layers up the a-axis direction, however, there are no significant inter-molecular inter-actions present.

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(Z)-Ethyl 2-cyano-3-(1H-imidazol-2-yl)acrylate

The crystal structure of the title compound, C9H9N3O2, features N-H⋯N and C-H⋯O inter-actions. The N-H⋯N inter-action generates a chain running along the a axis and the C-H⋯O inter-action generates a chain along the c axis. An intra-molecular C-H⋯O inter-action is also observed.

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(E)-Ethyl 2-cyano-2-(thia­zolidin-2-yl­idene)acetate

The title compound, C(8)H(10)N(2)O(2)S, was prepared by the reaction of 2-cyano-3,3-bis-(methyl-sulfan-yl)acrylate and 2-amino-ethanethiol at 350 K. The mol-ecular structure and packing are stabilized by N-H⋯O hydrogen-bond inter-actions. All the non-H atoms are nearly in the same plane with the maximum deviation being 0.08 Å.

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Ethyl 2-[(Z)-2-cyano­imino-1,3-thiazolidin-3-yl]acetate

In the title mol-ecule, C(8)H(11)N(3)O(2)S, the puckering amplitude of the thia-zolidine ring is q(2) = 0.3011 (5) Å and the conformation is an envelope. There are weak inter-molecular C-H⋯O inter-actions which stabilize the crystal structure.

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ژورنال

عنوان ژورنال: Zeitschrift für Kristallographie - New Crystal Structures

سال: 2017

ISSN: 2197-4578,1433-7266

DOI: 10.1515/ncrs-2016-0121