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Cis-4-(Tosyl-oxymeth-yl)cyclo-hexa-ne-carboxylic acid.

ABSTRACT: The title compound, C(15)H(20)O(5)S, is an inter-mediate in the synthesis of novel amino-carboxylic acid derivatives. The cyclo-hexane ring exhibits a chair conformation. In the crystal structure, adjacent mol-ecules form dimers via O-H?O hydrogen bonds.

SUBMITTER: Jiang DH

PROVIDER: S-EPMC2960809 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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cis-4-(Tosyl-oxymeth-yl)cyclo-hexa-ne-carboxylic acid.

Jiang De-Hong DH Mao Zhi-Hua ZH Zheng Hu H

Acta crystallographica. Section E, Structure reports online 20080215 Pt 3

The title compound, C(15)H(20)O(5)S, is an inter-mediate in the synthesis of novel amino-carboxylic acid derivatives. The cyclo-hexane ring exhibits a chair conformation. In the crystal structure, adjacent mol-ecules form dimers via O-H⋯O hydrogen bonds. ...[more]

PMID: 21201936

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trans-4-(Tosyl-oxymeth-yl)cyclo-hexane-carboxylic acid.

Project description:The title compound, C(15)H(20)O(5)S, is an inter-mediate in the synthesis of a new type of poly(amido-amine) (PAMAM) dendrimer. The cyclo-hexane ring exhibits a chair conformation, with C-C bond lengths in the range 1.518?(3)-1.531?(3)?Å and C-C-C angles in the range 110.45?(19)-112.09?(19)°; these agree well with the values in other cyclo-hexane derivatives described in the literature. In the crystal structure, adjacent mol-ecules are linked by O-H?·O hydrogen bonds. The H atoms of the methyl group are disordered equally over two positions.

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Crystal structure of N-[(4-eth-oxy-phen-yl)carbamo-thio-yl]cyclo-hexa-ne-carboxamide.

Project description:The asymmetric unit of the title compound, C16H22N2O2S, contains two crystallographically independent mol-ecules (A and B). In mol-ecule A, the cyclo-hexane ring is disordered over two orientations [occupancy ratio 0.841?(10):0.159?(10)]. In each mol-ecule, the central carbonyl thio-urea unit is nearly planar (r.m.s. deviations for all non-H atoms of 0.034?Å in mol-ecule A and 0.094?Å in mol-ecule B). In both mol-ecules, the cyclo-hexane ring adopts a chair conformation. The mean plane of the cyclo-hexane ring makes dihedral angles of 35.8?(4) (mol-ecule A) and 20.7?(3)° (mol-ecule B) with that of the benzene ring. Each mol-ecule features an intra-molecular N-H?O hydrogen bond, which closes an S(6) ring motif. In the crystal, mol-ecules are linked via pairs of weak N-H?S inter-actions, forming inversion dimers with an R 2 (2)(8) ring motif for both mol-ecules. The crystal structure also features weak C-H?? ring inter-actions.

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cis-3-(tert-Butoxy-carbonyl-amino)cyclo-hexa-necarboxylic acid.

Project description:The title compound, C(12)H(21)NO(4), a ?-aminobutyric acid derivative, crystallizes with two mol-ecules in the asymmetric unit. The crystal structure is stabilized by inter-molecular N-H?O and O-H?O hydrogen bonds, forming a strand. An intramolecular N-H?O hydrogen bond is also observed.

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trans-4-(Phenoxy-meth-yl)cyclo-hexane-carboxylic acid.

Project description:The title compound, C(14)H(18)O(3), is an important model compound in the synthesis of phenolic ethers. The cyclo-hexane ring adopts a chair conformation. In the crystal structure, adjacent mol-ecules are linked by O-H⋯O hydrogen bonds.

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N,N-Dicyclo-hexyl-cyclo-hexa-ne-carboxamide.

Project description:In the title compound, C(19)H(33)NO, all three cyclo-hexane rings adopt chair conformations. The crystal packing features weak C-H?O inter-actions, forming a supra-molecular chain along the c axis.

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1-Benzyl-3-(2-furylmeth-yl)-1,2,3,4,5,6-hexa-hydro-spiro-[benzo[h]quinazoline-5,1'-cyclo-hexa-ne]-2,4-dione.

Project description:The title compound, C(29)H(28)N(2)O(3), displays anti-depressant and anti-cancer activities. The furan ring is disordered over two orientations [site occupancies 0.690?(12)/0.310?(12)] related by a rotation of 180°. The ring conformations are chair for the cyclo-hexane ring, boat for the cyclo-hexa-diene ring and twist for the pyrimidine ring. The crystal packing is determined solely by van der Waals inter-actions.

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trans-4-Nitro-phenyl 4-(tosyl-oxymeth-yl)cyclo-hexa-necarboxyl-ate.

Project description:The title compound, C(21)H(23)NO(7)S, is an important inter-mediate in the synthesis of poly(amido-amine) dendrimers. The cyclo-hexane ring adopts a chair conformation. The dihedral angle between the two aromatic rings is 69.5?(2)°. The mol-ecules are linked into a zigzag chain along the b axis by C-H?O hydrogen bonds.

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(±)-1,2-Bis(N'-benzoyl-thio-ureido)cyclo-hexa-ne.

Project description:In the title compound, C(22)H(24)N(4)O(2)S(2), the two thio-urea segments of the side-arm groups are inclined at a dihedral angle of 73.09?(9)°. The central cyclo-hexane bridge adopts a chair conformation. The mol-ecule is stabilized by N-H?O intra-molecular hydrogen bonds forming S(6) rings, and N-H?O and N-H?S inter-molecular hydrogen bonds forming infinite chains developing parallel to the b axis.

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cis-2,6-Dibenzyl-cyclo-hexa-none.

Project description:In the title compound, C(20)H(22)O, the mol-ecule is a meso isomer with the two benzyl groups cis to each other. The central cyclo-hexa-none ring adopts a chair conformation. The mol-ecule lies on a noncrystallographic mirror plane and the dihedral angles of the benzyl groups with respect to the ketone moiety are 88.06?(6) and 89.07?(6)°.

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2-(Methyl-sulfan-yl)cyclo-dodeca-none tosyl-hydrazone.

Project description:The title compound, C(20)H(32)N(2)O(2)S(2), has been synthesized by the reaction of α-methyl-sulfanylcyclo-dodeca-none and p-toluene-sulfonyl-hydrazine. In the crystal structure, the conformation of the non-benzenoid ring is [3333] and the methyl-sulfanyl group is in the α-side exo position. The mol-ecules are linked by inter-molecular N-H⋯S hydrogen bonds.

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