6-Bromo-2′-[4-(dimethylamino)benzylidene]nicotinohydrazide monohydrate

De-Suo Yang
2007 Acta Crystallographica Section E  
Key indicators: single-crystal X-ray study; T = 298 K; mean (C-C) = 0.003 Å; R factor = 0.035; wR factor = 0.086; data-to-parameter ratio = 17.0. The asymmetric unit of the title compound, C 15 H 15 BrN 4 OÁ-H 2 O, consists of a roughly planar Schiff base molecule and a solvent water molecule. The Schiff base molecule displays a trans configuration with respect to the C N double bond. The dihedral angle between the benzene and pyridine rings is 4.6 (2) . In the crystal structure, molecules are
more » ... ure, molecules are linked through intermolecular O-HÁ Á ÁO and O-HÁ Á ÁN hydrogen bonds. Experimental Crystal data C 15 H 15 BrN 4 OÁH 2 O M r = 365.24 Monoclinic, P2 1 =n a = 10.535 (6) Å b = 12.363 (7) Å c = 12.889 (7) Å = 110.067 (6) V = 1576.8 (15) Å 3 Z = 4 Mo K radiation = 2.62 mm À1 T = 298 (2) K 0.23 Â 0.22 Â 0.20 mm Data collection Bruker SMART CCD diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.584, T max = 0.622 9266 measured reflections 3572 independent reflections 2312 reflections with I > 2(I) R int = 0.032
doi:10.1107/s1600536807038512 fatcat:pfra7g6mgfd2fhbmljpnp7gcuu