Glycine–d-tartaric acid (1/1)

Mohandas, T.; Inbaseelan, C.R.D.; Saravanan, S.; Sakthivel, P.

doi:10.1107/S1600536813000822

Volume 69
Part 2
Page o236
February 2013

Received 31 October 2012
Accepted 9 January 2013
Online 16 January 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.001 Å
R = 0.037
wR = 0.112
Data-to-parameter ratio = 19.9
Details

Glycine-D-tartaric acid (1/1)

T. Mohandas,^a C. Ranjith Dev Inbaseelan,^b S. Saravanan ^b and P. Sakthivel ^c ^*

^aDepartment of Physics, Shri Angalamman College of Engineering and Technology, Siruganoor, Tiruchirappalli 621 105, India,^bCentre for Photonics and Nanotechnology, Sona College of Technology, Salem, Tamilnadu, India, and ^cDepartment of Physics, Urumu Dhanalakshmi College, Tiruchirappalli 620 019, India
Correspondence e-mail: sakthi2udc@gmail.com

In the title co-crystal, C₂H₅NO₂·C₄H₆O₆, the gylcine molecule is present in the zwitterion form. In the tartaric acid molecule there is a short intramolecular O-HO contact. In the crystal, the tartaric acid molecules are linked via pairs of O-HO hydrogen bonds, forming inversion dimers. These dimers are linked via a number of O-HO and N-HO hydrogen bonds involving the two components, forming a three-dimensional network.

Related literature

For related structures, see: Kvick et al. (1980). For a description of the Cambridge Structural Database, see: Allen (2002).

Experimental

Crystal data

C₂H₅NO₂·C₄H₆O₆
M_r = 225.16
Monoclinic, P 2₁ /n
a = 4.8387 (2) Å
b = 9.2913 (4) Å
c = 20.0273 (8) Å
= 90.171 (1)°
V = 900.38 (6) Å³
Z = 4
Mo K radiation
= 0.16 mm^-1
T = 293 K
0.30 × 0.20 × 0.20 mm

Data collection

Bruker Kappa APEXII diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2003) T_min = 0.954, T_max = 0.969
12500 measured reflections
3282 independent reflections
2685 reflections with I > 2(I)
R_int = 0.033

Refinement

R[F² > 2(F²)] = 0.037
wR(F²) = 0.112
S = 1.07
3282 reflections
165 parameters
H atoms treated by a mixture of independent and constrained refinement
_max = 0.49 e Å^-3
_min = -0.22 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N1-H1AO1ⁱ	0.953 (19)	2.20 (2)	2.9509 (11)	135.2 (16)
N1-H1AO3ⁱ	0.953 (19)	2.21 (2)	2.9386 (11)	132.2 (15)
N1-H1BO6ⁱⁱ	0.909 (16)	2.041 (16)	2.9188 (10)	162.0 (14)
N1-H1CO7ⁱⁱ	0.914 (18)	2.172 (17)	2.9492 (13)	142.4 (14)
O2-H2AO8ⁱⁱⁱ	0.93 (2)	1.64 (2)	2.5473 (8)	167 (2)
O3-H3AO4^iv	0.870 (18)	1.849 (18)	2.7122 (8)	171.0 (16)
O4-H4AO3^v	0.81 (2)	2.09 (2)	2.7654 (10)	141.1 (18)
O4-H4AO6	0.81 (2)	2.251 (18)	2.6743 (9)	112.9 (16)
O5-H5O7	0.944 (19)	1.612 (19)	2.5459 (9)	169.2 (18)
Symmetry codes: (i) $[x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]$ ; (ii) $[-x+{\script{5\over 2}}, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (iii) -x+1, -y, -z+1; (iv) x+1, y, z; (v) -x+1, -y+1, -z+1.

Data collection: APEX2 (Bruker, 2004); cell refinement: APEX2 and SAINT-NT (Bruker, 2004); data reduction: SAINT-NT and XPREP (Bruker, 2003); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-32 (Farrugia, 2012); software used to prepare material for publication: PLATON (Spek, 2009).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BV2215 ).

Acknowledgements

The authors thank Sona Engineering College, Salem, for providing the sample to carry out the X-ray study.

References

Allen, F. H. (2002). Acta Cryst. B58, 380-388.
Bruker (2003). SADABS, SAINT-NT and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2004). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.
Kvick, Å., Canning, W. M., Koetzle, T. F. & Williams, G. J. B. (1980). Acta Cryst. B36, 115-120.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.

organic compounds