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1-(4-Methyl-benzo-yl)-3-[5-(4-pyrid-yl)-1,3,4-thia-diazol-2-yl]urea.

ABSTRACT: In the title compound, C(16)H(13)N(5)O(2)S, the five non-H atoms of the urea linkage adopt a planar configuration owing to the presence of an intra-molecular N-H?O hydrogen bond. The maximum deviation from planarity is 0.022?(2)?Å. The thia-diazole and pyridine heterocyclic rings are close to being coplanar, with a dihedral angle of 6.7?(2)° between their mean planes. Inter-molecular N-H?O hydrogen bonds link two neighbouring mol-ecules into centrosymmetric R(2) (2)(8) dimers. Four C atoms and the attached H atoms of the benzene ring are disordered over two positions of equal occupancy.

SUBMITTER: Zhan XH 

PROVIDER: S-EPMC2959837 | biostudies-other | 2008 Nov

REPOSITORIES: biostudies-other

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1-(4-Methyl-benzo-yl)-3-[5-(4-pyrid-yl)-1,3,4-thia-diazol-2-yl]urea.

Zhan Xiu-Huan XH   Wang Zi-Yun ZY   Tan Xiao-Hong XH   Tan Zhi-Wei ZW   Song Xin-Jian XJ  

Acta crystallographica. Section E, Structure reports online 20081108 Pt 12

In the title compound, C(16)H(13)N(5)O(2)S, the five non-H atoms of the urea linkage adopt a planar configuration owing to the presence of an intra-molecular N-H⋯O hydrogen bond. The maximum deviation from planarity is 0.022 (2) Å. The thia-diazole and pyridine heterocyclic rings are close to being coplanar, with a dihedral angle of 6.7 (2)° between their mean planes. Inter-molecular N-H⋯O hydrogen bonds link two neighbouring mol-ecules into centrosymmetric R(2) (2)(8) dimers. Four C atoms and t  ...[more]

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