41 research outputs found

    Methyl 2-amino-5-bromo­benzoate

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    In the title compound, C8H8BrNO2, the dihedral angle between the aromatic ring and the methyl acetate side chain is 5.73 (12)°. The mol­ecular conformation is stabilized by an intra­molecular N—H⋯O hydrogen bond, generating an S(6) ring. In the crystal, mol­ecules are connected by N—H⋯O inter­actions, generating zigzag chains running along the b-axis direction

    2-Ethyl-2,3-dihydro-1,2-benzothia­zole-1,1,3-trione

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    In the title mol­ecule, C9H9NO3S, the bond lengths and angles fall within normal ranges. All nine ring atoms almost lie in a common plane (r.m.s. deviation 0.021 Å). In the crystal, symmetry-related mol­ecules are linked via C—H⋯O hydrogen bonds, forming a three-dimensional network

    4-Amino-2-chloro­benzoic acid

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    The title compound, C7H6ClNO2, crystallizes with two roughly planar mol­ecules in the asymmetric unit (r.m.s. deviations = 0.073 and 0.074 Å). The amine H atoms of the two mol­ecules have opposite orientations. In the crystal, mol­ecules are linked into dimers by pairs of O—H⋯O hydrogen bonds, generating R 2 2(8) loops. N—H⋯N and N—H⋯Cl hydrogen bonds link the dimers into a three-dimensional network. The crystal studied was found to be a racemic twin

    2-(4-Chloro­benzamido)­acetic acid

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    In the crystal structure of the title mol­ecule, C9H8ClNO3, adjacent mol­ecules are arranged into centrosymmetric dimers through pairs of inter­molecular O—H⋯O inter­actions. Inter­molecular N—H⋯O hydrogen bonds link the dimers into a layer parallel to the bc plane. In the layer, mol­ecules are packed in a face-to-face π-stacked arrangment, showing π–π stacking inter­actions between the benzene rings with a centroid–centroid distance of 3.6884 (8) Å

    4-Chloro-N-cyclo­hexyl­benzene­sulfonamide

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    The title compound, C12H16ClNO2S, adopts an L-shaped conformation, with the central C—S—N—C torsion angle being −78.0 (2)°. The cyclo­hexyl ring adopts a chair conformation. In the crystal, adjacent mol­ecules are connected by pairs of N—H⋯O hydrogen bonds around an inversion centre, forming cyclic dimers [graph set R 2 2(8)]

    3-(Propan-2-yl­oxy)-1,2-benzothia­zole 1,1-dioxide

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    In the title compound, C10H11NO3S, the benzisothia­zole ring system is almost planar [maximum deviation = 0.030 (1) Å for the S atom]. The isoprop­oxy group is almost in the plane of the benzisothia­zole ring system [N—C—O—C = 4.5 (2)°] with one of its methyl groups in an anti­periplanar orientation relative to the benzisothia­zole ring system [C—C—O—C = −162.0 (2)°]

    2-(Methoxy­carbon­yl)anilinium dihydrogen phosphate

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    The title compound, C8H10NO2 +·H2PO4 −, is a derivative of the naturally occurring compound methyl­anthranilate. The asymmetric unit comprises the 2-(methoxy­carbon­yl)anilinium cation and the dihydrogen phosphate anion. In the cation, the dihedral angle between the benzene ring plane and that through the methyl ester substituent is 22.94 (9)°. In the crystal, adjacent cations and anions form dimers through N—H⋯O and O—H⋯O hydrogen bonds, respectively. Additional N—H⋯O and C—H⋯O contacts result in a network of cation and anion dimers stacked down the b axis

    Methyl 5-bromo-2-[meth­yl(methyl­sulfon­yl)amino]benzoate

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    The title compound, C10H12BrNO4S, is an inter­mediate in the synthesis of benzothia­zine. The planar methyl ester group (maximum deviation is 0.0065 Å) is oriented at a dihedral angle of 39.09 (13)° with respect to the aromatic ring. In the crystal structure, weak inter­molecular C—H⋯O inter­actions link the mol­ecules into centrosymmetric dimers, through R 2 2(10) ring motifs

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    N-Cyclo­hexyl-4-meth­oxy­benzene­sulfonamide

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    In the title mol­ecule, C13H19NO3S, the S atom has a distorted tetra­hedral geometry with an O—S—O bond angle of 120.39 (18)°. The cyclo­hexane ring has a chair conformation. In the crystal, mol­ecules are connected by inter­molecular N—H⋯O hydrogen bonds, forming zigzag hydrogen-bonded chains directed along the c axis
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