C3N crystallizes in the orthorhombic P2_12_12_1 space group. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(3) and two equivalent C(2) atoms. In the second C site, C(3) is bonded in a distorted single-bond geometry to one C(1) and one N(1) atom. In the third C site, C(2) is bonded in a distorted trigonal planar geometry to two equivalent C(1) and one N(1) atom. N(1) is bonded in a bent 150 degrees geometry to one C(2) and one C(3) atom.
C3N crystallizes in the orthorhombic P2_12_12_1 space group. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(3) and two equivalent C(2) atoms. The C(1)-C(3) bond length is 1.35 Å. There is one shorter (1.46 Å) and one longer (1.49 Å) C(1)-C(2) bond length. In the second C site, C(3) is bonded in a distorted single-bond geometry to one C(1) and one N(1) atom. The C(3)-N(1) bond length is 1.22 Å. In the third C site, C(2) is bonded in a distorted trigonal planar geometry to two equivalent C(1) and one N(1) atom. The C(2)-N(1) bond length is 1.33 Å. N(1) is bonded in a bent 150 degrees geometry to one C(2) and one C(3) atom.