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1-(2-Chloro-1,3-thia-zol-5-ylmeth-yl)-3,5-dimethyl-2-nitrimino-1,2,3,4,5,6-hexa-hydro-1,3,5-triazine.

ABSTRACT: In the title compound, C(9)H(13)ClN(6)O(2)S, all bond lengths and angles are normal. The 1,3,5-triazine ring exhibits a half-chair conformation. In the crystal structure, weak inter-molecular C-H?N and C-H?O hydrogen bonds link the mol-ecules into layers parallel to the bc plane.

SUBMITTER: Hu ZQ

PROVIDER: S-EPMC2915191 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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1-(2-Chloro-1,3-thia-zol-5-ylmeth-yl)-3,5-dimethyl-2-nitrimino-1,2,3,4,5,6-hexa-hydro-1,3,5-triazine.

Hu Zhi-Qiang ZQ Yang Xu-Dong XD An Guang-Wei GW Yang Zhi Z Xu Liang-Zhong LZ

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

In the title compound, C(9)H(13)ClN(6)O(2)S, all bond lengths and angles are normal. The 1,3,5-triazine ring exhibits a half-chair conformation. In the crystal structure, weak inter-molecular C-H⋯N and C-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the bc plane. ...[more]

PMID: 21200685

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4-Amino-N-(2,3-di-hydro-1,3-thia-zol-2-yl-idene)benzene-sulfonamide-2,4,6-tris-(pyr-idin-2-yl)-1,3,5-triazine (1/1).

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10-Ethynyl-2,3,6,6a,9,10-hexa-hydro-1H-6,9-methano-pyrrolo[2,1-i][2,1]benzo-thia-zol-10-ol 5,5-dioxide.

Project description:In the title compound, C(13)H(15)NO(3)S, the sole classical hydrogen-bond donor is involved in an intra-molecular O-H?N hydrogen bond. In the crystal structure, pairs of mol-ecules related by inversion centres are linked by pairs of weak inter-molecular C-H?O inter-actions; these centrosymmetric pairs are, in turn, linked further by weak inter-molecular C-H?O inter-actions, forming two-dimensional sheets oriented parallel to (101).

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Crystal structure of 2-amino-3-ethyl-4,5-di-hydro-1,3-thia-zol-3-ium 3-chloro-benzo-ate.

Project description:The title salt, C5H11N2S(+)·C7H4ClO2 (-), comprises a 2-amino-3-ethyl-4,5-di-hydro-1,3-thia-zol-3-ium cation in which the five-membered ring adopts an envelope conformation with the methyl-ene C adjacent to the S atom being the flap, and a planar 3-chloro-benzoate anion (r.m.s. deviation for the 10 non-H atoms = 0.021 Å). The most prominent feature of the crystal packing are N-H⋯O hydrogen bonds whereby the two amine H atoms bridge two carboxyl-ate O atoms resulting in the formation of a centrosymmetric 12-membered {⋯HNH⋯OCO}2 synthon involving two cations and two anions. These aggregates are linked by C-H⋯O inter-actions to form a supra-molecular chain along the a-axis direction.

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Crystal structure of 2-[(3aS,6R)-3,3,6-trimethyl-3,3a,4,5,6,7-hexa-hydro-2H-indazol-2-yl]thia-zol-4(5H)-one.

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