(S,Z)-3-Phenyl-2-[(1,1,1-trichloro-7-methoxy-2,7-dioxohept-3-en-4-yl)amino]propanoic acid monohydrate

In the title compound, C17H18Cl3NO5·H2O, intramolecular N—H⋯O and C—H⋯Cl hydrogen bonds form S(6) and S(5) ring motifs, respectively. The chiral organic molecule is connected to the solvent water molecule by a short O—H⋯O hydrogen bond. In the crystal, a weak C—H⋯Cl interaction connects the organic molecules along [100] while the water molecules act as bridges between the organic molecules in both the [100] and [010] directions, generating layers parallel to the ab plane.

In the title compound, C 17 H 18 Cl 3 NO 5 ÁH 2 O, intramolecular N-HÁ Á ÁO and C-HÁ Á ÁCl hydrogen bonds form S(6) and S(5) ring motifs, respectively. The chiral organic molecule is connected to the solvent water molecule by a short O-HÁ Á ÁO hydrogen bond. In the crystal, a weak C-HÁ Á ÁCl interaction connects the organic molecules along [100] while the water molecules act as bridges between the organic molecules in both the [100] and [010] directions, generating layers parallel to the ab plane.
In the crystal structure of the title compound, the asymmetric unit is composed of the whole chiral organic molecule, central projection of the crystal structure can be viewed in Fig. 2, which depicts a crystal packing diagram as viewed along the crystallographic a axis.

Experimental
To a stirred solution of methyl 7,7,7-trichloro-4-methoxy-6-oxo-3-heptenoate (5 mmol, 1.52 g) and L-phenylalanine (5.5 mmol, 0.91 g), at 25 °C, was added a solution of 1 mol·L -1 NaOH. There was an immediate formation of a yellow precipitate and the mixture was further stirred for 30 minutes. A solution of 50% HCl was added until the pH ≈ 1, when there was complete precipitation of the yellow solid. The solid was extracted with ethyl acetate, and this solution was dried over anhydrous MgSO 4 . The ethyl acetate was removed on a rotary evaporator to give the product as a yellow solid.  8, 31.5, 39.9, 52.2, 58.1, 86.0, 96.9, 127.5, 128.9, 129.5, 135.4, 169.9, 172.0, 173.2, 181.2 p.p.m.. Crystals were grown from a methanol solution, which was slowly evaporated at room temperature.

Refinement
All H atoms attached to carbon were positioned with idealized geometry and were refined isotropically. For H atoms of CH 3 group, U iso (H) was set to 1.5U eq (C) using a riding model with C-H = 0.96 Å. For all remaining H atoms attached to C atoms, U iso (H) was set to 1.2U eq (C) using a riding model with the following C-H distances: C-H (CH) = 0.93 Å, C-H (CH chiral ) = 0.98 Å and C-H (CH 2 ) = 0.97 Å. H atoms attached to nitrogen, H atoms of the water molecule and the H atom of the carboxylic acid fragment were located in difference Fourier maps, and were refined with U iso values set to 1.5U eq of the parent atom. Reflections (001) and (001)  program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2013 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2006); software used to prepare material for publication: publCIF (Westrip, 2010).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 )
x y z U iso */U eq O33 0.4813 (5