Table 1.
Crystal data and structure refinement for N,N-dimethylglycine–chloranilic acid co-crystal.
| Empirical Formula | C10H11Cl2NO6 |
|---|---|
| Formula weight | 312.10 |
| Temperature | 293(2) K |
| Wavelength | 1.54184 Å |
| Crystal system | Triclinic |
| Space group | P-1 |
| Unit cell dimensions | a = 9.6199(4) Å, α = 97.749(4)°. |
| b = 12.0092(5) Å, β = 110.173(4)°. | |
| c = 12.8763(6) Å, γ = 111.415(4)°. | |
| Volume | 1240.68(10) Å3 |
| Z | 4 |
| Density (calculated) | 1.671 Mg/m3 |
| Absorption coefficient | 4.960 mm−1 |
| F(000) | 640 |
| Crystal size | 0.2 × 0.2 × 0.03 mm3 |
| Theta range for data collection | 5.16 to 71.16°. |
| Index ranges | −11 ≤ h ≤ 10, −14 ≤ k ≤ 14, −15 ≤ l ≤ 15 |
| Reflections collected | 15,069 |
| Independent reflections | 4409 (R(int) = 0.1036) |
| Completeness to theta = 71.16° | 91.9% |
| Refinement method | Full-matrix least-squares on F2 |
| Data/restraints/parameters | 4409/0/361 |
| Goodness-of-fit on F2 | 0.980 |
| Final R indices (I > 2σ(I)) | R1 = 0.0471, wR2 = 0.1233 |
| R indices (all data) | R1 = 0.0553, wR2 = 0.1283 |
| Largest diff. peak and hole | 0.546 and −0.303 e·Å−3 |