KHCN2 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 2-coordinate geometry to one N(1) and one N(2) atom. In the second K site, K(2) is bonded in a 8-coordinate geometry to one C(2), one N(3), two equivalent N(2), two equivalent N(4), and two equivalent H(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. In the second C site, C(2) is bonded in a linear geometry to one K(2), one N(3), and one N(4) atom. There are four inequivalent N sites. In the first N site, N(3) is bonded in a 2-coordinate geometry to one K(2), one C(2), and one H(1) atom. In the second N site, N(4) is bonded in a distorted single-bond geometry to two equivalent K(2) and one C(2) atom. In the third N site, N(1) is bonded in a 2-coordinate geometry to one K(1), one C(1), and one H(2) atom. In the fourth N site, N(2) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one C(1) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to two equivalent K(2) and one N(1) atom.
KHCN2 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 2-coordinate geometry to one N(1) and one N(2) atom. The K(1)-N(1) bond length is 2.88 Å. The K(1)-N(2) bond length is 2.86 Å. In the second K site, K(2) is bonded in a 8-coordinate geometry to one C(2), one N(3), two equivalent N(2), two equivalent N(4), and two equivalent H(2) atoms. The K(2)-C(2) bond length is 3.08 Å. The K(2)-N(3) bond length is 2.88 Å. There is one shorter (2.91 Å) and one longer (2.95 Å) K(2)-N(2) bond length. There is one shorter (2.87 Å) and one longer (3.14 Å) K(2)-N(4) bond length. There is one shorter (2.82 Å) and one longer (2.92 Å) K(2)-H(2) bond length. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. The C(1)-N(1) bond length is 1.28 Å. The C(1)-N(2) bond length is 1.20 Å. In the second C site, C(2) is bonded in a linear geometry to one K(2), one N(3), and one N(4) atom. The C(2)-N(3) bond length is 1.28 Å. The C(2)-N(4) bond length is 1.20 Å. There are four inequivalent N sites. In the first N site, N(3) is bonded in a 2-coordinate geometry to one K(2), one C(2), and one H(1) atom. The N(3)-H(1) bond length is 1.03 Å. In the second N site, N(4) is bonded in a distorted single-bond geometry to two equivalent K(2) and one C(2) atom. In the third N site, N(1) is bonded in a 2-coordinate geometry to one K(1), one C(1), and one H(2) atom. The N(1)-H(2) bond length is 1.03 Å. In the fourth N site, N(2) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one C(1) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to two equivalent K(2) and one N(1) atom.