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3-Cyclopropyl-1,2,4-triazolo[3,4-b]benzothiazole monohydrate. 1999

K Puviarasan, and L Govindasamy, and S Shanmuga, and S Raj, and D Velmurugan, and G Jayanthi, and H K Fun
Department of Crystallography and Biophysics, University of Madras, Chennai, India.

The title structure, C11H9N3S.H2O, contains two crystallographically independent molecules, each consisting of a 1,2,4-triazolo[3,4-b]benzothiazole-fused ring fragment substituted with a cyclopropyl ring, and a water molecule. The geometry of both molecules differs slightly. Both molecules are planar within 0.041 and 0.03 A. The dihedral angle between triazole and the cyclopropyl ring is 60.0(1) and 61.7(1) degrees for molecules A and B, respectively, and the cyclopropyl ring is inclined at an angle of 2.0(1) and 1.2(1) degrees to the benzothiazole moiety for molecules A and B, respectively. The packing of the molecules is stabilized by O-H...N-type hydrogen bonds.

UI MeSH Term Description Entries
D003460 Crystallization The formation of crystalline substances from solutions or melts. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed) Crystalline Polymorphs,Polymorphism, Crystallization,Crystal Growth,Polymorphic Crystals,Crystal, Polymorphic,Crystalline Polymorph,Crystallization Polymorphism,Crystallization Polymorphisms,Crystals, Polymorphic,Growth, Crystal,Polymorph, Crystalline,Polymorphic Crystal,Polymorphisms, Crystallization,Polymorphs, Crystalline
D006860 Hydrogen Bonding A low-energy attractive force between hydrogen and another element. It plays a major role in determining the properties of water, proteins, and other compounds. Hydrogen Bonds,Bond, Hydrogen,Hydrogen Bond
D013844 Thiazoles Heterocyclic compounds where the ring system is composed of three CARBON atoms, a SULFUR and NITROGEN atoms. Thiazole
D014230 Triazoles Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3. Triazole
D015394 Molecular Structure The location of the atoms, groups or ions relative to one another in a molecule, as well as the number, type and location of covalent bonds. Structure, Molecular,Molecular Structures,Structures, Molecular
D052160 Benzothiazoles Compounds with a benzene ring fused to a thiazole ring.
D018360 Crystallography, X-Ray The study of crystal structure using X-RAY DIFFRACTION techniques. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed) X-Ray Crystallography,Crystallography, X Ray,Crystallography, Xray,X Ray Crystallography,Xray Crystallography,Crystallographies, X Ray,X Ray Crystallographies

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