LiC3N3H2O2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form corner-sharing LiNO3 tetrahedra. The Li(1)-N(1) bond length is 2.04 Å. The Li(1)-O(1) bond length is 2.00 Å. There is one shorter (2.00 Å) and one longer (2.01 Å) Li(1)-O(2) bond length. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(2), one C(3), and one N(1) atom. The C(1)-C(2) bond length is 1.41 Å. The C(1)-C(3) bond length is 1.47 Å. The C(1)-N(1) bond length is 1.35 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one N(3) atom. The C(2)-C(3) bond length is 1.47 Å. The C(2)-N(3) bond length is 1.35 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(1), one C(2), and one O(1) atom. The C(3)-O(1) bond length is 1.24 Å. There are three inequivalent N sites. In the first N site, N(3) is bonded in a distorted single-bond geometry to one C(2), one N(2), and one H(1) atom. The N(3)-N(2) bond length is 1.34 Å. The N(3)-H(1) bond length is 1.76 Å. In the second N site, N(1) is bonded in a distorted trigonal planar geometry to one Li(1), one C(1), and one N(2) atom. The N(1)-N(2) bond length is 1.34 Å. In the third N site, N(2) is bonded in a distorted trigonal planar geometry to one N(1), one N(3), and one H(2) atom. The N(2)-H(2) bond length is 1.74 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(3) and one O(2) atom. The H(1)-O(2) bond length is 1.01 Å. In the second H site, H(2) is bonded in a single-bond geometry to one N(2) and one O(2) atom. The H(2)-O(2) bond length is 1.01 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one C(3) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one H(1), and one H(2) atom to form distorted corner-sharing OLi2H2 tetrahedra. Linkers: 1 O=C1[C]2N=NN=C2C(=O)C2=C1[N]N=N2 ,1 O=C1C2=N[N]N=C2C(=O)C2=C1[N]N=N2. Metal clusters: 4 [Li]. The MOF has largest included sphere 1.68 A, density 1.79 g/cm3, surface area 3117.83 m2/g, accessible volume 0.03 cm3/g