Structure of ethyl 2-​(2-​amino-​3-​ethoxycarbonyl-​4H-​chromen-​4-​yl)​-​2-​cyanoacetate

The title compd. is monoclinic, space group P21/n, with a 21.335(2)​, b 8.516(1)​, c 9.273(1) Å, and β 93.645(1)​°, Z = 4, dm = 1.330, dc = 1.305, T = 300 K, final R = 0.059 for 3184 reflections. At. coordinates are given. The dihydropyran ring makes a dihedral angle of 14.6(3)​° with the benzene ring and is puckered. The ethoxycarbonyl group attached to C(3) makes a dihedral angle of 13.9(3)​° with the chromene ring but the 4-​(1-​ethoxycarbonyl) group is rotated about C(4) by 81.1(4)​°. The C-​C≡N chain is almost linear and makes a dihedral angle of 48.4(3)​° with the C(4) ethoxycarbonyl group. The mol. exhibits intramol. H bonding between the amino group at C(2) and the carbonyl O atom of the C(3) ethoxycarbonyl group. Intermol. N-​H...O bonds link the mols. across the center of symmetry

2-​(o-​Methoxyphenoxy)​-​1-​methylbenzimidazole, C15H14N2O2

The title compd. is monoclinic, space group P21/n, with a 7.388(3)​, b 10.432(1)​, c 16.929(2) Å, and β 100.29(2)​°; Z = 4, dc = 1.313, dm = 1.29; R = Rw = 0.051 for 1829 reflections. At. coordinates are given. The benzimidazole ring is planar and makes a dihedral angle of 79.02(2)​° with the aryloxy ring. The N-​CH3 and O-​CH3 groups are anti to each other. The mols. are held together in the crystal by van der Waals interactions

Crystal Structure of 4,6-dinitro-1-(5-tetrazolyl)-1H-indazole Trihydrate

The title compound, C8H4N8O4·3H2O, crystallizes in space groupP¯1 with cell constantsa=7.022(1),b=9.507(2),c=10.906(2) Å,α=84.99(1),β=71.89(1),γ=72.56(1)°,Z=2, andV c =660.2 Å3. The structure was solved by direct methods using diffractometer data and was refined by full-matrix least-squares methods to anR value of 0.060 for 2112 observed reflections. The molecule, consisting of a phenyl ring fused to a pyrazole ring with a tetrazole ring connected to it equatorially, is planar except for the N(7) nitro-group oxygen atoms. The structure is stabilized by a three-dimensional network of O-H⋯O, O-H⋯N, and N-H⋯O hydrogen bonds through the water molecules

Structure of ethyl 1-cyanomethyl-5-methoxy-3-phenylindole-2-carboxylate

C20HI8N203, M r = 334.38, orthorhombic, Pbca, a = 7.179 (3), b = 33.014 (3), c = 14.847 (1) A, V = 3518.85/~3, Z = 8, Dx = 1.262, D m = by 53.1 (3) °. The C--C~N chain is linear and makes a dihedral angle of 77.9 (3) ° with the mean plane of the indole ring. The mean plane of the carboxyl group makes a dihedral angle of 25.4 (3) ° with the indole moiety

Structure of 4,​6-​diacetylresorcinol

The title compd. is monoclinic, space group P21/c, with a 7.089(1)​, b 11.361(1)​, c 11.656(1) Å, and β 100.45(3)​°; Z = 4, dm = 1.410(5)​, dc = 1.397; T = 300 K; final R = 0.057 for 1701 reflections. At. coordinates are given. The mol. is almost planar, with O(9) and O(12) of the acetyl groups deviating by 0.074(1) and 0.071(2) Å from the mean plane of the benzene ring. The bond lengths and bond angles of the benzene ring are normal. There are intramol. H bonds between O(9) and H(14) and between O(12) and H(13)​; there are no intermol. H bonds. The mols. are packed in layers parallel to the ac plane and are held together essentially by van der Waals interactions

4-​Amino-​N-​(2-​pyrimidinyl)​benzenesulfonamide

The structure of the title compd., C10H10N4O2S, was detd. The two six-​membered rings are planar and folded towards each other making an acute angle of 74.9(2)​°. The mols. are linked by intermol. N-​H...O and N-​H...N bonds

N-(3-chlorophenyl)-2-(1E)-(4-methylphenyl)-methyleneamino-4,5,6, 7-tetrahydro-1-benzo-thiophene-3-carboxamide

The crystal structure of the title compound, C23H 21ClN2OS, is stabilized by intramolecular N-H⋯N, C-H⋯S and C-H⋯O hydrogen bonds and a weak intermolecular C-H⋯O interaction. © 2005 International Union of Crystallography Printed in Great Britain - all rights reserved

Ethyl α-​phenylhydrazono-​2-​furanpropionate

The title compd. is orthorhombic, space group Pca21, with a 11.115(1)​, b 8.170(1)​, and c 15.341(1) Å; Z = 4 for dm = 1.290 and dc = 1.293. The structure was solved by direct methods and refined to an R of 0.041 for 1033 reflections. At. coordinates are given. The structure conforms to the non-​H-​bonded α form. The hydrazine moiety is planar with sp2 hybridization at the N and neighboring atoms. Intermol. N-​H...O hydrogen bonds link the mols. into chains along a

6-Methyl-N-(4-methoxy-phen-yl)-2-(E)-(4-methyl-phen-yl)methyl-eneamino-4, 5,6,7-tetra-hydro-thieno2,3-cpyridine-3-carboxamide

The molecular structure of the title compound, C24H25N3O2S, is stabilized by intra-molecular N - Hâ¯N, C - Hâ¯O and C - Hâ¯S hydrogen bonds. There are no significant inter-molecular inter-actions. © 2008