LiC5N2H5O3 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form edge-sharing LiO4 tetrahedra. The Li(1)-O(2) bond length is 1.91 Å. The Li(1)-O(3) bond length is 1.90 Å. There is one shorter (1.95 Å) and one longer (1.97 Å) Li(1)-O(1) bond length. There are five inequivalent C sites. In the first C site, C(3) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(1) atom. The C(3)-N(2) bond length is 1.34 Å. The C(3)-H(1) bond length is 1.09 Å. In the second C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(1), one N(1), and one H(2) atom. The C(4)-C(1) bond length is 1.41 Å. The C(4)-N(1) bond length is 1.33 Å. The C(4)-H(2) bond length is 1.09 Å. In the third C site, C(5) is bonded in a distorted single-bond geometry to one C(1) and one H(3) atom. The C(5)-C(1) bond length is 1.39 Å. The C(5)-H(3) bond length is 1.09 Å. In the fourth C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(5) atom. The C(1)-C(2) bond length is 1.51 Å. In the fifth C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(1), and one O(2) atom. The C(2)-O(1) bond length is 1.27 Å. The C(2)-O(2) bond length is 1.26 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 120 degrees geometry to one C(4) and one N(2) atom. The N(1)-N(2) bond length is 1.34 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one C(3), one N(1), and one H(5) atom. The N(2)-H(5) bond length is 1.74 Å. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(3) atom. The H(4)-O(3) bond length is 0.98 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(2) and one O(3) atom. The H(5)-O(3) bond length is 1.01 Å. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one H(4), and one H(5) atom. In the second O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one C(2) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one C(2) atom. Linkers: 4 [O]C(=O)c1ccnnc1. Metal clusters: 4 [Li]. The MOF has largest included sphere 1.48 A, density 1.59 g/cm3, surface area 4317.76 m2/g, accessible volume 0.09 cm3/g