N-[2-(3-Methoxyphenoxy)propyl]-m-tolylacetamidinium p-Toluenesulfonate Monohydrate (Xylamidine)

2-(5-Nitro-2-styryl-1-imidazolyl)ethanol

“…1. The crystal contains well ordered molecules of 2-(5-nitro-2-styryl-l-imidazolyl)ethanol in the form previously observed in crystals of 2-(2-methyl-5-nitro-1-imidazolyl)ethanol (metronidazole) (Blaton, Peeters & De Ranter, 1979). The bond lengths and angles are in good agreement to within 0.005 A and 1.6 °, respectively, with those observed in metronidazole.…”

Anhydrous Form of Carnidazole, C8H12N4O3S

“…The structure of the hydrated form reported previously (Blaton, Peeters & De Ranter, 1979) differs essentially from the anhydrous form in the relative orientations of the nitroimidazole and thiocarbamate moieties [dihedral angles around the C4--C5 and C5--N4 bonds of the hydrated form are 60.6 (4) and 87.7 (4) ° , respectively]. In the anhydrous form, the molecule adopts a step-like conformation where all the non-H atoms are distributed in two parallel (3.3 ° ) mean planes, linked by the C4--C5 bond, which are perpendicular to the c axis (Fig.…”

“…2). As observed for both the hydrated form (Blaton, Peeters & De Ranter, 1979) and another nitroimidazole derivative (Olszak, Peeters, Blaton & De Ranter, 1994), the nitro group makes a slight dihedral angle [4.4 (3) °] with the imidazole ring (which is planar with a maximum deviation of 0.08 3,). The molecules are connected by weak hydrogen bonds leading to the formation of a seven-membered ring between the imidazole and the thiocarbamate moieties linked through a glide plane symmetry relation [N4-..N2 i 2.961 (7) …”

Crystal structures of 3‐methyl‐2(1H)‐quinoxalinone and three substituted derivatives

“…Therefore, the molecule was drawn by adding the nitro group at the molecule of compound 6. Considering the Cambridge Structural Database CSD of the CCDC and literature data, [24][25][26] bond lengths and torsion angles of the nitro group were set at 1.466 Å , 1.220 Å , 123.48 and 118.38, respectively, for C-N, N-O, O-N-O and C-N-O (so, the four atoms are coplanar). The drawn molecule was then set as a rigid body, but with the C2-C1-N13-O14 torsion angle involving the nitro group allowed to adjust freely and it is placed inside the unit cell previously determined, together with its homologues related by the space group symmetry.…”