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Crystal structure of (E)-N'-{[(1R,3R)-3-isopropyl-1-methyl-2-oxo-cyclo-pent-yl]methyl-idene}-4-methyl-benzene-sulfono-hydrazide.

ABSTRACT: The title compound, C17H24N2O3S, was synthesized in order to determine the relative configuration of the corresponding ?-keto aldehyde. In the U-shaped mol-ecule, the five-membered ring approximates an envelope with the methyl-ene atom adjacent to the quaternary C atom being the flap. The dihedral angles between the four nearly coplanar atoms of the five-membered ring and the flap and the aromatic ring are 38.8?(4) and 22.9?(2)°, respectively. The bond angles around the S atom are in the range 104.11?(16)-119.95?(16)°. In the crystal, mol-ecules are linked via N-H?O by hydrogen bonds, forming a chain along the a-axis direction.

SUBMITTER: Tymann D

PROVIDER: S-EPMC4384629 | biostudies-literature | 2015 Feb

REPOSITORIES: biostudies-literature

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Crystal structure of (E)-N'-{[(1R,3R)-3-isopropyl-1-methyl-2-oxo-cyclo-pent-yl]methyl-idene}-4-methyl-benzene-sulfono-hydrazide.

Tymann David D Dragon Dina Christina DC Golz Christopher C Preut Hans H Strohmann Carsten C Hiersemann Martin M

Acta crystallographica. Section E, Crystallographic communications 20150110 Pt 2

The title compound, C17H24N2O3S, was synthesized in order to determine the relative configuration of the corresponding β-keto aldehyde. In the U-shaped mol-ecule, the five-membered ring approximates an envelope with the methyl-ene atom adjacent to the quaternary C atom being the flap. The dihedral angles between the four nearly coplanar atoms of the five-membered ring and the flap and the aromatic ring are 38.8 (4) and 22.9 (2)°, respectively. The bond angles around the S atom are in the range 1 ...[more]

PMID: 25878892

Similar Datasets

Crystal structure of N'-[(E)-(1S,3R)-(3-isopropyl-1-methyl-2-oxo-cyclo-pent-yl)methyl-idene]-4-methyl-benzene-sulfono-hydrazide.

Project description:The title compound, C17H24N2O3S, was synthesized in order to determine the relative configuration of the corresponding ?-keto aldehyde. In the U-shaped mol-ecule, the five-membered ring approximates an envelope, with the methyl-ene C atom adjacent to the quaternary C atom being the flap, and the methyl and isopropyl substituents lying to the same side of the ring. The dihedral angles between the four nearly coplanar atoms of the five-membered ring and the flap and the aromatic ring are 35.74?(15) and 55.72?(9)°, respectively. The bond angles around the S atom are in the range from 103.26?(12) to 120.65?(14)°. In the crystal, mol-ecules are linked via N-H?O hydrogen bonds, forming a chain along the a axis.

| S-EPMC4719872 | biostudies-other

4-Methyl-N'-(2-oxoindolin-3-yl-idene)benzene-1-sulfono-hydrazide.

Project description:In the title compound, C(15)H(13)N(3)O(3)S, the C-S-N(H)-N linkage is non-planar, the torsion angle being -65.12 (13)° and the S atom showing a tetra-hedral environment. The compound has two almost planar fragments linked to the S atom: the isatin-derivative fragment [(C(8)H(5)NO)N-N(H)-] and the tolyl fragment [C(7)H(7)-] have maximum deviations from the mean plane through the non-H atoms of 0.0813 (13) and 0.0094 (16) Å, respectively, and make an inter-planar angle of 80.48 (3)°. In the crystal, mol-ecules are connected into inversion dimers via pairs of N-H⋯O hydrogen bonds. Additionally, the mol-ecular structure is stabilized by an intra-molecular N-H⋯O hydrogen bond.

| S-EPMC3238916 | biostudies-literature

(E)-N'-[(2-Hy-droxy-naphthalen-1-yl)methyl-idene]-4-methyl-benzene-sulfono-hydrazide.

Project description:In the title compound, C(18)H(16)N(2)O(3)S, the dihedral angle between the planes of the benzene ring and the naphthyl ring system is 83.37?(10)°. An intra-molecular O-H?N hydrogen bond occurs. Inter-molecular N-H?O hydrogen bonds stabilize the crystal structure. There is a ?-? inter-action between the naphthyl ring systems [centroid-centroid distance = 3.7556?(15)?Å]. In addition, naphth-yl-tolyl and naphth-yl-naphthyl C-H?? inter-actions are observed.

| S-EPMC3052163 | biostudies-literature

N'-(5-Fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl-idene)benzene-sulfono-hydrazide.

Project description:The mol-ecule of the title compound, C(14)H(10)FN(3)O(3)S, consists of an indole unit and a phenylsulfonyl unit that are disposed in an approximately trans orientation relative to the N-N single bond. Two mol-ecules are arranged about a center of inversion, forming a hydrazide-carbonyl N-H?O hydrogen-bonded dimer; the dimers are linked by an indole-sulfonyl N-H?O hydrogen bond into a ribbon.

| S-EPMC2961184 | biostudies-literature

N'-[(4Z)-1-(3-Methyl-5-oxo-1-phenyl-4,5-di-hydro-1H-pyrazol-4-yl-idene)hex-yl]benzene-sulfono-hydrazide.

Project description:In the title compound, C22H26N4O3S, the dihedral angle between the pyrazoloneand phenyl rings is 21.73?(4)°. The benzensulfono-hydrazide group adopts a gauche conformation about the N-N vector. The C-N-N-S torsion angle is -109.88?(13)°. The mol-ecule exists as the enamine tautomeric form (C=C-NH). An intra-molecular N-H?O=C hydrogen bond occurs. In the crystal, mol-ecules are linked by pairs of N-H?O=C hydrogen bonds, forming centrosymmetric dimers.

| S-EPMC4051048 | biostudies-literature

N'-[3-(Hy-droxy-imino)-butan-2-yl-idene]-4-methyl-benzene-1-sulfono-hydrazide.

Project description:In the title compound, C(11)H(15)N(3)O(3)S, the C-S-N(H)-N linkage is nonplanar, the torsion angle being 75.70?(12)°. The compound has two almost planar fragments linked to the S atom: the hydrazone-derivative fragment [(HONC(4)H(6))N-N(H)-] and the tolyl fragment (C(7)H(7)-) have maximum deviations from the mean plane through the non-H atoms of 0.0260?(10) and 0.0148?(14)?Å, respectively. The two planar fragments make an inter-planar angle of 79.47?(5)°. In the crystal, mol-ecules are connected through inversion centers via pairs of N-H?O and O-H?N hydrogen bonds.

| S-EPMC3297317 | biostudies-literature

Crystal structure of (E)-N'-(3,4-di-fluoro-benzyl-idene)-4-methyl-benzene-sulfono-hydrazide.

Project description:In the title compound, C14H12F2N2O2S, the dihedral angle between the aromatic rings is 70.23?(8)° and the S-N-N=C torsion angle is 172.11?(11)°. In the crystal, N-H?O hydrogen bonds link the mol-ecules into [100] C(4) chains, with adjacent mol-ecules in the chain related by translational symmetry. The chains are linked by weak C-H?F and C-H?O inter-actions, thereby forming a three-dimensional network.

| S-EPMC4647373 | biostudies-literature

Crystal structure of (Z)-N'-[1-(3-methyl-5-oxo-1-phenyl-1,5-di-hydro-4H-pyrazol-4-yl-idene)prop-yl]benzene-sulfono-hydrazide.

Project description:The title compound, C19H20N4O3S, was synthesized by refluxing equimolar amounts of 1-phenyl-3-methyl-4-propionylpyrazol-5-one and benzene-sulfonyl hydrazide in ethanol. The compound crystallizes in the keto form and the carbonyl O atom forms an intra-molecular N-H?O hydrogen bond with the neighbouring NH group. There is also C-H?O short contact involving the neighbouring phenyl ring. Probably as a result of this, the phenyl ring is inclined to the pyrazolone ring by only 7.58?(12)°. The dihedral angle between the phenyl ring and the benzene-sulfonyl ring is 22.78?(11)°. In the crystal, mol-ecules are linked by pairs of N-H?O hydrogen bonds, forming inversion dimers with an R (2) 2(14) ring motif. The dimers are linked via pairs of C-H?O hydrogen bonds, forming chains propagating along [100].

| S-EPMC4420066 | biostudies-literature

Crystal structure of (E)-N'-(4-chloro-benzyl-idene)-4-methyl-benzene-sulfono-hydrazide: a hexa-gonal polymorph.

Project description:The title compound, C14H13ClN2O2S, crystallized in the enanti-omorphic defining hexa-gonal space group P61 [Flack parameter = -0.02?(7)]. The partially hydrated form of the same compound, crystallizing in the triclinic space group P-1, has been reported previously [Kia et al. (2009b). Acta Cryst. E65, o1119], as has the crystal structure of the bromo derivative, also crystallizing in the space group P-1 [Kia et al. (2009a). Acta Cryst. E65, o821]. The title mol-ecule is non-planar with the planes of the benzene rings being inclined to one another by 76.62?(13)°, and has an E conformation about the C=N bond. In the crystal, mol-ecules are linked via N-H?O hydrogen bonds forming 61 helical chains running along [001]. The chains are linked via C-H?O hydrogen bonds, C-H?? inter-actions and short Cl?O [3.015?(3)?Å] inter-actions, forming a three-dimensional structure.

| S-EPMC4257446 | biostudies-literature

N'-[(E)-2-Hy-droxy-5-iodo-benzyl-idene]-4-methyl-benzene-sulfono-hydrazide.

Project description:In the title mol-ecule, C(14)H(13)IN(2)O(3)S, the dihedral angle between the planes of the benzene and toluene rings is 84.3?(3)°. The mol-ecule displays a trans conformation with respect to the C=N bond. There is an intra-molecular O-H?N hydrogen bond with the azomethine N atom as acceptor. In the crystal, N-H?O hydrogen bonds connect the mol-ecules into chains running along the b axis.

| S-EPMC3435795 | biostudies-other

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