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

ABSTRACT: In the title compound, C(13)H(23)N(3)O(4), the piperidine ring adopts a chair conformation. An intra-molecular N-H?O hydrogen bond is observed between the carbamoyl and carboxyl-ate groups. In the crystal structure, mol-ecules form inversion dimers linked by pairs of N-H?O hydrogen bonds.

SUBMITTER: Chai Y

PROVIDER: S-EPMC2968237 | biostudies-literature | 2009

REPOSITORIES: biostudies-literature

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

Chai Yun Y Wan Zhi-Long ZL Guo Hui-Yuan HY Liu Ming-Liang ML

Acta crystallographica. Section E, Structure reports online 20090110 Pt 2

In the title compound, C(13)H(23)N(3)O(4), the piperidine ring adopts a chair conformation. An intra-molecular N-H⋯O hydrogen bond is observed between the carbamoyl and carboxyl-ate groups. In the crystal structure, mol-ecules form inversion dimers linked by pairs of N-H⋯O hydrogen bonds. ...[more]

PMID: 21581895

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

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Project description:In the title compound, C(8)H(12)N(2)O(2), mol-ecules are inter-connected by weak C-H?O contacts with H?O distances of 2.30?Å, resulting in the formation of chains along [100]. According to graph-set analysis, the unitary descriptor of these chains is C(5). In addition, there are ?-? stacking inter-actions between pyrazole rings (centroid distance = 3.878?Å and ring plane distance = 3.26?Å).

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Project description:In the title compound, C(21)H(24)N(2)O(4), the benzimidazole ring system is almost planar, with a maximum deviation of 0.047?(1)?Å and makes a dihedral angle of 88.44?(5)° with the attached benzene ring. In the crystal, mol-ecules form infinite chains along the b axis by way of inter-molecular O-H?N and C-H?O inter-actions. Weak C-H?? also contribute to the stabilization of the crystal structure.

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Project description:In the crystal structure of the title compound, C(9)H(12)N(2)O(3), weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into chains. Further weak C-H⋯O hydrogen bonds together with π-π inter-actions [centroid-centroid distance = 3.672 (4) Å] between neighbouring chains lead to a double-chain structure propagating in [100].

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