ZnC4N3H4O2CH3 crystallizes in the monoclinic C2/c space group. The structure consists of sixteen 02329_fluka molecules inside a ZnC4N3H4O2 framework. In the ZnC4N3H4O2 framework, there are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted tetrahedral geometry to one N(1), one N(2), one N(3), and one O(1) atom. The Zn(1)-N(1) bond length is 2.00 Å. The Zn(1)-N(2) bond length is 2.01 Å. The Zn(1)-N(3) bond length is 2.06 Å. The Zn(1)-O(1) bond length is 1.97 Å. In the second Zn site, Zn(1) is bonded in a distorted tetrahedral geometry to one N(1), one N(2), one N(3), and one O(1) atom. The Zn(1)-N(1) bond length is 2.00 Å. The Zn(1)-N(2) bond length is 2.01 Å. The Zn(1)-N(3) bond length is 2.06 Å. The Zn(1)-O(1) bond length is 1.97 Å. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one C(2), one H(1), one H(2), and one H(3) atom. The C(1)-C(2) bond length is 1.48 Å. The C(1)-H(1) bond length is 1.10 Å. The C(1)-H(2) bond length is 1.10 Å. The C(1)-H(3) bond length is 1.10 Å. In the second C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one C(2), one H(1), one H(2), and one H(3) atom. The C(1)-C(2) bond length is 1.48 Å. The C(1)-H(1) bond length is 1.10 Å. The C(1)-H(2) bond length is 1.10 Å. The C(1)-H(3) bond length is 1.10 Å. In the third C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one N(2), and one N(3) atom. The C(2)-N(2) bond length is 1.34 Å. The C(2)-N(3) bond length is 1.36 Å. In the fourth C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one N(2), and one N(3) atom. The C(2)-N(2) bond length is 1.34 Å. The C(2)-N(3) bond length is 1.36 Å. In the fifth C site, C(3) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(4) atom. The C(3)-N(1) bond length is 1.33 Å. The C(3)-N(3) bond length is 1.35 Å. The C(3)-H(4) bond length is 1.09 Å. In the sixth C site, C(3) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(4) atom. The C(3)-N(1) bond length is 1.33 Å. The C(3)-N(3) bond length is 1.35 Å. The C(3)-H(4) bond length is 1.08 Å. In the seventh C site, C(5) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. The C(5)-O(1) bond length is 1.31 Å. The C(5)-O(2) bond length is 1.25 Å. In the eighth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. The C(5)-O(1) bond length is 1.31 Å. The C(5)-O(2) bond length is 1.25 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(3), and one N(2) atom. The N(1)-N(2) bond length is 1.37 Å. In the second N site, N(1) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(3), and one N(2) atom. The N(1)-N(2) bond length is 1.37 Å. In the third N site, N(2) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(2), and one N(1) atom. In the fourth N site, N(2) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(2), and one N(1) atom. In the fifth N site, N(3) is bonded in a trigonal planar geometry to one Zn(1), one C(2), and one C(3) atom. In the sixth N site, N(3) is bonded in a trigonal planar geometry to one Zn(1), one C(2), and one C(3) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(3) atom. In the fifth H site, H(4) is bonded in a single-bond geometry to one C(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Zn(1) and one C(5) atom. In the second O site, O(1) is bonded in a water-like geometry to one Zn(1) and one C(5) atom. In the third O site, O(2) is bonded in a single-bond geometry to one C(5) atom. In the fourth O site, O(2) is bonded in a single-bond geometry to one C(5) atom. Linkers: 4 CC1=NN=C[N]1 ,1 CC1=NC=N[N]1 ,1 CC1=[N]=CN=N1. Metal clusters: 8 [Zn]. The MOF has largest included sphere 3.52 A, density 1.54 g/cm3, surface area 4469.80 m2/g, accessible volume 0.23 cm3/g