N,N-Dimethyl-N′,N′′-bis(2-methylphenyl)phosphoric triamide monohydrate

• Main Authors: Farnaz Eslami, Mehrdad Pourayoubi, Mohammad Yousefi, Arnold L. Rheingold, James A. Golen
• Format: Article
• Language: English
• Published: International Union of Crystallography 2012-09-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536812033995

In the title compound, C16H22N3OP·H2O, the P atom adopts a distorted tetrahedral environment with the bond angles around the P atom in the range 99.98 (7)–116.20 (7)°. The P—N bond length in the [(CH3)2N]P(O) fragment [1.6392 (14) Å] is slightly shorter than two other P—N bonds [1.6439 (15) and 1.6530 (14) Å]. In the (CH3)2NP(O) fragment, one of the methyl groups is syn to the P=O bond, whereas the other one is anti to the P=O bond [C—N—P=O torsion angles = 4.80 (17) and −174.57 (15)°]. In the crystal, the water molecules form hydrogen bonds to the O atoms of the P=O bond of two different molecules and act as acceptors for the two amino H atoms of the same molecule. As a result, chains parallel to [010] are formed.