Structure of N-methylnicotinamide.
C7H8N2O, Mr = 136.2, monoclinic, P21/a, a = 7.055 (1), b = 9.849 (6), c = 10.066 (4) A, beta = 100.47 (2) degrees, V = 687.5 (5) A3, Z = 4, Dm = 1.32, Dx = 1.315 g cm-3, Cu K alpha, lambda = 1.5418 A, mu = 7.09 cm-1, F(000) = 288, T = 294 K, R = 0.048 for 1134 reflections [I greater than 3 sigma(I)]. The N-methylcarboxamide group is extended with the keto O(7) transoid to C(2) [C(2)--C(3)--C(7)--O(7) +/- 158.9 (3), C(3)--C(7)--N(7)--C(8) +/- 177.1 (3), C(2)--C(3)--C(7)--N(7) +/- 23.2 (3) and C(4)--C(3)--C(7)--N(7) +/- 158.2 (3) degrees]. The dihedral angle between the planes of the pyridine ring and the carboxamide plane is 22 degrees. The molecules are linked together by N--H...O hydrogen bonds involving the amino N(7) and the carbonyl O(7) atoms.
Srikrishnan
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Center for Crystallographic Research, Roswell Park Cancer Institute, Buffalo, New York 14263.
Parthasarathy
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D008968:Molecular Conformation; D009536:Niacinamide / Q000031:analogs & derivatives* / Q000737:chemistry; D014961:X-Ray Diffraction
D009536:Niacinamide; C008472:N-methylnicotinamide