Naslov
Synthesis and crystal structure determination of 6-(N-isopropyl)amidino-2-methylbenzothiazole hydrochlorode monohydrate and 2-(amino-6-(N- isopropyl)amidinobenzothiazole hydrochloride

Autori
Ćaleta, Irena ; Cetina, Mario ; Hergold-Brundić, Antonija ; Nagl, Ante ; Karminski-Zamola, Grace

Izvornik
Structural chemistry (1040-0400) 14 (2003), 6; 587-595

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Synthesis ; aminobenzothiazolle derivative ; X-Ray Structure ; Analysis

Sažetak
Two novel substituted amidino-benzothiazoles ; 6- (N-isopropyl)amidino-2-methylbenzothiazole 4 and 2-amino-6-(N-isopropyl)amidinobenzothiazole 6 were prepared in multistep synthesis in form of hydrochloride salts. They were characterized by means of IR, 1H and 13C-NMR spectroscopy and elemental analysis. The crystal structures have been also determined by X-ray analysis. The both compounds crystallize as colourless prisms in the triclinic crystal system, space group P`1. Crystal data: (4) a = 8.741(4) Ĺ, b = 9.602(7) Ĺ, c = 9.946(2) Ĺ, a = 63.94(3)°, b = 79.18(2)°, g = 79.68(3)°, V = 732.1(6) Ĺ3, Z = 2, R = 0.0396 ; (6) a = 8.106(1) Ĺ, b = 9.148(2) Ĺ, c = 9.291(2) Ĺ, a = 104.83(1)°, b = 103.36(2)°, g = 90.62(1)°, V = 646.2(2) Ĺ3, Z = 2, R = 0.0376. The bond distances and angles are in both structures almost similar and the only difference in the conformation between them was found in the orientation of the 6-(N-izopropyl)amidino moiety with respect to the benzothiazole ring. In the crystal structures of the both compounds were observed the intermolecular hydrogen bonds forming three-dimensional network.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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