Caesium chloride 2-(N-morpholinio)­ethane­sulfonate

Milić, D.; Renić, M.; Matković-Čalogović, D.

doi:10.1107/S1600536805009037

Caesium chloride 2-(N-morpholinio)ethanesulfonate

D. Milic, M. Renic and D. Matkovic-Calogovic

In the structure of caesium chloride 2-(N-morpholinio)ethanesulfonate, Cs⁺·Cl^-·C₆H₁₃NO₄S, determined by X-ray diffraction analysis at 100 K, the caesium cation is coordinated by the chloride anion and six O atoms.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805009037/br6188sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536805009037/br6188Isup2.hkl Contains datablock I

CCDC reference: 270229

checkCIF report

checkCIF/PLATON results

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The following ALERTS were generated. Each ALERT has the format
       test-name_ALERT_alert-type_alert-level.
Click on the hyperlinks for more details of the test.

Alert level A
CHEM001_ALERT_1_A  _chemical_formula_sum is missing
            Chemical formula as sum of elements.
            The following tests will not be performed.
            CELLZ_01,CHEMS_01,CHEMW_01
CHEM003_ALERT_1_A  _chemical_formula_weight is missing
            Chemical formula mass (Da).
            The following tests will not be performed.
            CHEMW_01,CHEMW_02,CHEMW_03,DENSD_01
SYMM001_ALERT_1_A  _symmetry_cell_setting is missing
            The cell setting should be one of the following
            *  triclinic
            *  monoclinic
            *  orthorhombic
            *  tetragonal
            *  rhombohedral
            *  trigonal
            *  hexagonal
            *  cubic
            The following tests will not be performed.
            SYMMS_01,SYMMS_02
SYMM003_ALERT_1_A  _symmetry_space_group_name_H-M is missing
            Space-group symbol, including unique axis.
            The following tests will not be performed.
            CELLZ_01,CHEMW_03,REFLT_03,SYMMG_01,SYMMG_02
CELL001_ALERT_1_A  _cell_volume is missing
            Unit-cell volume (A3).
            The following tests will not be performed.
            ABSMU_01,CELLV_01,CELLV_02,DENSD_01,REFLT_03
CELL002_ALERT_1_A  _cell_formula_units_Z is missing
            Number of formulae per unit cell.
            The following tests will not be performed.
            ABSMU_01,CELLZ_01,DENSD_01
EXPT001_ALERT_1_A  _exptl_crystal_density_diffrn is missing
            Density calculated from unit cell and contents (Mg m-3).
            The following tests will not be performed.
            DENSD_01,DENSX_01
DIFF001_ALERT_1_A  _diffrn_radiation_type is missing
            The radiation type should contain one of the following
            *  'Cu K\a'
            *  'Mo K\a'
            *  'Ag K\a'
            *  neutron
            *  synchrotron
            The following tests will not be performed.
            ABSMU_01,ABSTM_02,CRYSS_01,RADNW_01
DIFF002_ALERT_1_A  _diffrn_radiation_wavelength is missing
            Radiation wavelength (A).
            The following tests will not be performed.
            RADNW_01,REFLT_03,REFNR_01,THETM_01
CELL003_ALERT_1_A  _cell_measurement_reflns_used is missing
            Number of reflections used to measure unit cell.
CELL004_ALERT_1_A  _cell_measurement_theta_min is missing
            Minimum theta of reflections used to measure unit cell.
            The following tests will not be performed.
            CELLT_01
CELL005_ALERT_1_A  _cell_measurement_theta_max is missing
            Maximum theta of reflections used to measure unit cell.
            The following tests will not be performed.
            CELLT_01
CELL006_ALERT_1_A  _cell_measurement_temperature is missing
            Measurement temperature (K).
            The following tests will not be performed.
            CELLK_01
EXPT004_ALERT_1_A  _exptl_absorpt_coefficient_mu is missing
            Linear absorption coefficient (mm-1).
            The following tests will not be performed.
            ABSMU_01,ABSTM_02
EXPT005_ALERT_1_A  _exptl_crystal_description is missing
            Crystal habit description.
            The following tests will not be performed.
            CRYSR_01
EXPT009_ALERT_1_A  No crystal dimensions have been given.
            The following tests will not be performed.
            CRYSS_01,CRYSS_02
EXPT108_ALERT_1_A  The magnitudes of the crystal dimensions do not
            match the min, mid and max definitions
EXPT010_ALERT_1_A  _exptl_crystal_colour (_pd_char_colour for powder) is missing
            Crystal colour.
            The following tests will not be performed.
            CRYSC_01
DIFF003_ALERT_1_A  _diffrn_measurement_device_type is missing
            Diffractometer make and type. Replaces _diffrn_measurement_type.
DIFF005_ALERT_1_A  _diffrn_measurement_method is missing
            Mode of intensity measurement and scan.
DIFF007_ALERT_1_A  _diffrn_reflns_number is missing
            Total number of reflections measured.
            The following tests will not be performed.
            REFLG_01,REFLT_01
REFL001_ALERT_1_A  _reflns_number_total is missing
            Number of symmetry-independent reflections.
            The following tests will not be performed.
            REFLT_01,REFLT_02,REFLT_03,REFNR_01
REFL002_ALERT_1_A  _reflns_number_gt is missing
            Number of reflections > sigma threshold.
            The following tests will not be performed.
            REFLG_01,REFLT_02
REFL004_ALERT_1_A  _reflns_threshold_expression is missing
            Sigma expression for F, F2 or I threshold.
            The following tests will not be performed.
            REFLE_01
DIFF008_ALERT_1_A  _diffrn_reflns_theta_max is missing
            Maximum theta of measured reflections.
            The following tests will not be performed
            REFLT_03,REFNR_01,THETM_01
DIFF013_ALERT_1_A  _diffrn_reflns_limit_h_min is missing
            Minimum h index of measured data.
            The following tests will not be performed
            REFLL_01
DIFF014_ALERT_1_A  _diffrn_reflns_limit_h_max is missing
            Maximum h index of measured data.
            The following tests will not be performed
            REFLL_01
DIFF015_ALERT_1_A  _diffrn_reflns_limit_k_min is missing
            Minimum k index of measured data.
            The following tests will not be performed
            REFLL_01
DIFF016_ALERT_1_A  _diffrn_reflns_limit_k_max is missing
            Maximum k index of measured data.
            The following tests will not be performed
            REFLL_01
DIFF017_ALERT_1_A  _diffrn_reflns_limit_l_min is missing
            Minimum l index of measured data.
            The following tests will not be performed
            REFLL_01
DIFF018_ALERT_1_A  _diffrn_reflns_limit_l_max is missing
            Maximum l index of measured data.
            The following tests will not be performed
            REFLL_01
DIFF019_ALERT_1_A  _diffrn_standards_number is missing
            Number of standards used in measurement.
DIFF020_ALERT_1_A  _diffrn_standards_interval_count and
            _diffrn_standards_interval_time are missing. Number of measurements
            between standards or time (min) between standards.
DIFF022_ALERT_1_A  _diffrn_standards_decay_% is missing
            Percentage decrease in standards intensity.
REFI001_ALERT_1_A  _refine_ls_structure_factor_coef is missing
            The structure factor coefficient should be one of the following
            *  Inet
            *  Fsqd
            *  F
            The following tests will not be performed
            FCOEF_01
REFI003_ALERT_1_A  _refine_ls_R_factor_gt is missing
            R factor of F for reflections > threshold.
            The following tests will not be performed
            RFACG_01
REFI005_ALERT_1_A  _refine_ls_wR_factor_ref is missing
            R factor of coefficient for refinement reflections.
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            RFACR_01
REFI007_ALERT_1_A  _refine_ls_goodness_of_fit_ref is missing
            Goodness of fit S for refinement reflections.
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            GOODF_01
REFI009_ALERT_1_A  _refine_ls_number_reflns is missing
            Number of reflections used in refinement.
            The following test will not be performed
            REFNR_01
REFI010_ALERT_1_A  _refine_ls_number_parameters is missing
            Number of parameters refined.
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            REFNR_01
REFI011_ALERT_1_A  _refine_ls_weighting_scheme is missing
            The weighting scheme should be one of the following
            *  sigma
            *  calc
            The following tests will not be performed
            WEIGH_01
REFI015_ALERT_1_A  _refine_ls_shift/su_max is missing
            Maximum shift/s.u. ratio after final refinement cycle.
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            SHFSU_01
REFI017_ALERT_1_A  _refine_diff_density_max is missing
            Maximum value of final difference map (e A-3).
            The following tests will not be performed
            DIFMN_01,DIFMX_01,DIFMX_02
REFI018_ALERT_1_A  _refine_diff_density_min is missing
            Minimum value of final difference map (e A-3).
            The following tests will not be performed
            DIFMN_01,DIFMN_02,DIFMN_03
ATOM002_ALERT_1_A  _atom_site_label is missing
            Unique label identifying the atom site.
ATOM003_ALERT_1_A  _atom_site_fract_x is missing
            Fractional coordinates of atom site.
ATOM004_ALERT_1_A  _atom_site_fract_y is missing
            Fractional coordinates of atom site.
ATOM005_ALERT_1_A  _atom_site_fract_z is missing
            Fractional coordinates of atom site.
ATOM006_ALERT_1_A  _atom_site_U_iso_or_equiv is missing
            Isotropic atomic displacement paramter, or equivalent from
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TYPE100_ALERT_1_A  _atom_site_label is not of type char.
TYPE101_ALERT_1_A  _atom_site_fract_x is not of type numb.
TYPE102_ALERT_1_A  _atom_site_fract_y is not of type numb.
TYPE103_ALERT_1_A  _atom_site_fract_z is not of type numb.
GEOM005_ALERT_1_A  _geom_angle_atom_site_label_1 is missing
            Label identifying the atom site 1.
ABSTY01_ALERT_1_A  The absorption correction should be one of the following
            *  none
            *  analytical
            *  integration
            *  numerical
            *  gaussian
            *  empirical
            *  psi-scan
            *  multi-scan
            *  refdelf
            *  sphere
            *  cylinder

Alert level C
ABSTY02_ALERT_1_C  An _exptl_absorpt_correction_type has been given without
            a literature citation. This should be contained in the
            _exptl_absorpt_process_details field.
            Absorption correction given as Not Given

  55 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   1 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

  56 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion


checkCIF publication errors

Alert level A
PUBL004_ALERT_1_A  The contact author's name and address are missing,
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PUBL005_ALERT_1_A  _publ_contact_author_email, _publ_contact_author_fax and
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            At least one of these should be present.
PUBL006_ALERT_1_A  _publ_requested_journal is missing
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PUBL008_ALERT_1_A  _publ_section_title is missing. Title of paper.
PUBL009_ALERT_1_A  _publ_author_name is missing. List of author(s) name(s).
PUBL010_ALERT_1_A  _publ_author_address is missing. Author(s) address(es).
PUBL012_ALERT_1_A  _publ_section_abstract is missing.
            Abstract of paper in English.
PUBL016_ALERT_1_A  Details of the refinement are missing.
            e.g. _publ_section_exptl_refinement
            _computing_data_collection
            _computing_cell_refinement , etc.
ATOM001_ALERT_1_A  _atom_type_scat_source is missing
            Reference to scattering factors applied.

Alert level G
PUBL013_ALERT_1_G The _publ_section_comment (discussion of study) is
            missing. This is required for a full paper submission (but is
            optional for an electronic paper).
PUBL017_ALERT_1_G The _publ_section_references section is missing or
            empty.

   9 ALERT level A = Data missing that is essential or data in wrong format
   2 ALERT level G = General alerts. Data that may be required is missing


# start Validation Reply Form
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# end Validation Reply Form

Computing details top

Data collection: CrysAlis CCD (Oxford Diffraction, 2003); cell refinement: CrysAlis RED (Oxford Diffraction, 2003); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.

caesium chloride 2-(N-morpholinio)ethanesulfonate top

Crystal data top

Cs⁺·Cl⁻·C₆H₁₃NO₄S	F(000) = 704
M_r = 363.59	D_x = 2.093 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 2097 reflections
a = 12.110 (2) Å	θ = 3.0–26.5°
b = 8.1753 (15) Å	µ = 3.61 mm⁻¹
c = 12.566 (2) Å	T = 100 K
β = 111.963 (17)°	Needle, colourless
V = 1153.7 (4) Å³	0.40 × 0.04 × 0.04 mm
Z = 4

Data collection top

Oxford Diffraction Xcalibur CCD diffractometer	3341 independent reflections
Radiation source: fine-focus sealed tube	2688 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.059
ω scans	θ_max = 30.0°, θ_min = 4.1°
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2003)	h = −16→17
T_min = 0.489, T_max = 0.862	k = −11→11
15065 measured reflections	l = −17→17

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.046	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.120	H-atom parameters constrained
S = 1.10	w = 1/[σ²(F_o²) + (0.0661P)²] where P = (F_o² + 2F_c²)/3
3341 reflections	(Δ/σ)_max = 0.001
127 parameters	Δρ_max = 2.99 e Å⁻³
0 restraints	Δρ_min = −1.58 e Å⁻³

Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Cs1	−0.61586 (2)	−0.26891 (3)	0.33929 (2)	0.01817 (12)
Cl1	−0.54968 (10)	0.25461 (12)	−0.13736 (9)	0.0168 (2)
S1	−0.54531 (10)	0.22811 (12)	0.29025 (10)	0.0133 (2)
O1	−0.6076 (3)	0.3841 (4)	0.2616 (3)	0.0242 (7)
O2	−0.4408 (3)	0.2326 (4)	0.3961 (3)	0.0220 (7)
O3	−0.6253 (3)	0.0920 (4)	0.2834 (3)	0.0213 (7)
N1	−0.3438 (4)	0.2767 (4)	0.0931 (3)	0.0150 (7)
H1	−0.4083	0.2794	0.0235	0.018*
C2	−0.2615 (4)	0.4107 (5)	0.0914 (4)	0.0157 (9)
H2A	−0.1953	0.4180	0.1671	0.019*
H2B	−0.3047	0.5163	0.0763	0.019*
C3	−0.2122 (4)	0.3784 (6)	−0.0008 (4)	0.0205 (9)
H3A	−0.2782	0.3795	−0.0768	0.025*
H3B	−0.1560	0.4669	0.0001	0.025*
O4	−0.1520 (3)	0.2242 (4)	0.0157 (3)	0.0189 (7)
C5	−0.2328 (4)	0.0945 (5)	0.0098 (4)	0.0179 (9)
H5B	−0.1907	−0.0115	0.0196	0.021*
H5A	−0.2980	0.0947	−0.0667	0.021*
C6	−0.2852 (4)	0.1127 (5)	0.1024 (4)	0.0161 (9)
H6B	−0.3445	0.0251	0.0937	0.019*
H6A	−0.2212	0.1013	0.1792	0.019*
C7	−0.3909 (4)	0.3047 (6)	0.1866 (4)	0.0150 (8)
H7B	−0.4209	0.4182	0.1814	0.018*
H7A	−0.3250	0.2920	0.2621	0.018*
C8	−0.4903 (4)	0.1869 (5)	0.1794 (4)	0.0147 (8)
H8B	−0.4602	0.0732	0.1870	0.018*
H8A	−0.5560	0.1978	0.1036	0.018*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cs1	0.01885 (17)	0.01752 (17)	0.01697 (17)	−0.00026 (10)	0.00535 (12)	−0.00089 (10)
Cl1	0.0164 (5)	0.0155 (5)	0.0131 (5)	0.0001 (4)	−0.0007 (4)	0.0004 (4)
S1	0.0149 (5)	0.0123 (5)	0.0140 (5)	0.0005 (4)	0.0068 (4)	−0.0006 (4)
O1	0.0296 (18)	0.0134 (16)	0.034 (2)	0.0071 (13)	0.0176 (16)	0.0030 (14)
O2	0.0181 (17)	0.0324 (19)	0.0135 (16)	−0.0007 (13)	0.0034 (13)	0.0003 (13)
O3	0.0214 (16)	0.0176 (16)	0.0276 (18)	−0.0043 (13)	0.0121 (14)	−0.0025 (14)
N1	0.0165 (17)	0.0145 (17)	0.0142 (19)	0.0018 (14)	0.0057 (15)	−0.0017 (14)
C2	0.024 (2)	0.0093 (19)	0.016 (2)	−0.0054 (16)	0.0099 (18)	−0.0009 (15)
C3	0.022 (2)	0.017 (2)	0.022 (2)	−0.0006 (17)	0.0066 (19)	0.0022 (18)
O4	0.0176 (16)	0.0198 (16)	0.0228 (18)	−0.0008 (12)	0.0116 (14)	0.0006 (13)
C5	0.020 (2)	0.014 (2)	0.018 (2)	0.0000 (17)	0.0050 (18)	−0.0056 (17)
C6	0.018 (2)	0.0116 (19)	0.016 (2)	0.0034 (16)	0.0031 (17)	0.0038 (16)
C7	0.014 (2)	0.014 (2)	0.015 (2)	−0.0033 (16)	0.0028 (16)	−0.0024 (16)
C8	0.017 (2)	0.0114 (19)	0.014 (2)	−0.0007 (16)	0.0034 (17)	−0.0011 (16)

Geometric parameters (Å, º) top

Cs1—O3	3.025 (3)	N1—C6	1.501 (5)
Cs1—O1ⁱ	3.014 (3)	N1—C7	1.503 (6)
Cs1—O1ⁱⁱ	3.348 (3)	N1—H1	0.9300
Cs1—O3ⁱⁱ	3.143 (3)	C2—C3	1.511 (6)
Cs1—O4ⁱⁱⁱ	3.069 (3)	C2—H2A	0.9900
Cs1—O2^iv	3.148 (4)	C2—H2B	0.9900
Cs1—Cl1^v	3.7783 (14)	C3—O4	1.433 (5)
Cs1—S1ⁱⁱ	3.8065 (14)	C3—Cs1^ix	3.915 (5)
Cs1—C3ⁱⁱⁱ	3.915 (5)	C3—H3A	0.9900
Cs1—Cs1ⁱⁱ	5.1812 (8)	C3—H3B	0.9900
Cs1—Cs1^vi	5.1812 (8)	O4—C5	1.426 (5)
Cs1—Cs1^vii	5.4760 (10)	O4—Cs1^ix	3.069 (3)
Cl1—Cs1^v	3.7783 (14)	C5—C6	1.527 (6)
S1—O2	1.454 (4)	C5—H5B	0.9900
S1—O1	1.456 (3)	C5—H5A	0.9900
S1—O3	1.457 (3)	C6—H6B	0.9900
S1—C8	1.786 (5)	C6—H6A	0.9900
S1—Cs1^vi	3.8065 (14)	C7—C8	1.518 (6)
O1—Cs1^viii	3.014 (3)	C7—H7B	0.9900
O1—Cs1^vi	3.348 (3)	C7—H7A	0.9900
O2—Cs1^iv	3.148 (4)	C8—H8B	0.9900
O3—Cs1^vi	3.143 (3)	C8—H8A	0.9900
N1—C2	1.487 (5)

O1ⁱ—Cs1—O3	147.75 (10)	O2—S1—O1	113.4 (2)
O1ⁱ—Cs1—O4ⁱⁱⁱ	91.10 (9)	O2—S1—O3	113.9 (2)
O3—Cs1—O4ⁱⁱⁱ	95.48 (8)	O1—S1—O3	112.5 (2)
O1ⁱ—Cs1—O3ⁱⁱ	69.42 (9)	O2—S1—C8	105.5 (2)
O3—Cs1—O3ⁱⁱ	107.14 (7)	O1—S1—C8	106.3 (2)
O4ⁱⁱⁱ—Cs1—O3ⁱⁱ	157.36 (8)	O3—S1—C8	104.1 (2)
O1ⁱ—Cs1—O2^iv	114.24 (9)	O2—S1—Cs1^vi	145.26 (15)
O3—Cs1—O2^iv	97.33 (9)	O1—S1—Cs1^vi	60.86 (14)
O4ⁱⁱⁱ—Cs1—O2^iv	67.06 (9)	O3—S1—Cs1^vi	52.62 (13)
O3ⁱⁱ—Cs1—O2^iv	109.61 (9)	C8—S1—Cs1^vi	108.92 (14)
O1ⁱ—Cs1—O1ⁱⁱ	112.25 (7)	S1—O1—Cs1^viii	145.1 (2)
O3—Cs1—O1ⁱⁱ	66.56 (8)	S1—O1—Cs1^vi	96.82 (16)
O4ⁱⁱⁱ—Cs1—O1ⁱⁱ	156.46 (8)	Cs1^viii—O1—Cs1^vi	108.93 (9)
O3ⁱⁱ—Cs1—O1ⁱⁱ	43.67 (8)	S1—O2—Cs1^iv	137.7 (2)
O2^iv—Cs1—O1ⁱⁱ	99.00 (9)	S1—O3—Cs1	139.89 (18)
O1ⁱ—Cs1—Cl1^v	73.81 (7)	S1—O3—Cs1^vi	105.77 (16)
O3—Cs1—Cl1^v	78.32 (6)	Cs1—O3—Cs1^vi	114.26 (10)
O4ⁱⁱⁱ—Cs1—Cl1^v	72.01 (7)	C2—N1—C6	111.1 (3)
O3ⁱⁱ—Cs1—Cl1^v	111.34 (6)	C2—N1—C7	110.6 (3)
O2^iv—Cs1—Cl1^v	138.23 (7)	C6—N1—C7	112.4 (3)
O1ⁱⁱ—Cs1—Cl1^v	116.17 (6)	C2—N1—H1	107.5
O1ⁱ—Cs1—S1ⁱⁱ	90.95 (6)	C6—N1—H1	107.5
O3—Cs1—S1ⁱⁱ	88.04 (6)	C7—N1—H1	107.5
O4ⁱⁱⁱ—Cs1—S1ⁱⁱ	169.85 (6)	N1—C2—C3	110.0 (3)
O3ⁱⁱ—Cs1—S1ⁱⁱ	21.61 (6)	N1—C2—H2A	109.7
O2^iv—Cs1—S1ⁱⁱ	103.09 (7)	C3—C2—H2A	109.7
O1ⁱⁱ—Cs1—S1ⁱⁱ	22.33 (6)	N1—C2—H2B	109.7
Cl1^v—Cs1—S1ⁱⁱ	118.09 (3)	C3—C2—H2B	109.7
O1ⁱ—Cs1—C3ⁱⁱⁱ	107.89 (9)	H2A—C2—H2B	108.2
O3—Cs1—C3ⁱⁱⁱ	76.30 (9)	O4—C3—C2	111.6 (4)
O4ⁱⁱⁱ—Cs1—C3ⁱⁱⁱ	19.22 (9)	C2—C3—Cs1^ix	105.8 (3)
O3ⁱⁱ—Cs1—C3ⁱⁱⁱ	176.55 (9)	O4—C3—H3A	109.3
O2^iv—Cs1—C3ⁱⁱⁱ	69.24 (10)	C2—C3—H3A	109.3
O1ⁱⁱ—Cs1—C3ⁱⁱⁱ	139.36 (9)	Cs1^ix—C3—H3A	143.0
Cl1^v—Cs1—C3ⁱⁱⁱ	69.39 (7)	O4—C3—H3B	109.3
S1ⁱⁱ—Cs1—C3ⁱⁱⁱ	161.15 (7)	C2—C3—H3B	109.3
O1ⁱ—Cs1—Cs1ⁱⁱ	37.68 (6)	Cs1^ix—C3—H3B	70.1
O3—Cs1—Cs1ⁱⁱ	134.90 (6)	H3A—C3—H3B	108.0
O4ⁱⁱⁱ—Cs1—Cs1ⁱⁱ	126.49 (6)	C5—O4—C3	110.1 (3)
O3ⁱⁱ—Cs1—Cs1ⁱⁱ	32.16 (6)	C5—O4—Cs1^ix	126.7 (3)
O2^iv—Cs1—Cs1ⁱⁱ	112.67 (6)	C3—O4—Cs1^ix	115.9 (3)
O1ⁱⁱ—Cs1—Cs1ⁱⁱ	75.78 (6)	O4—C5—C6	111.2 (3)
Cl1^v—Cs1—Cs1ⁱⁱ	97.92 (2)	O4—C5—H5B	109.4
S1ⁱⁱ—Cs1—Cs1ⁱⁱ	53.756 (18)	C6—C5—H5B	109.4
C3ⁱⁱⁱ—Cs1—Cs1ⁱⁱ	144.86 (7)	O4—C5—H5A	109.4
O1ⁱ—Cs1—Cs1^vi	133.92 (7)	C6—C5—H5A	109.4
O3—Cs1—Cs1^vi	33.58 (6)	H5B—C5—H5A	108.0
O4ⁱⁱⁱ—Cs1—Cs1^vi	128.59 (6)	N1—C6—C5	110.3 (3)
O3ⁱⁱ—Cs1—Cs1^vi	73.99 (6)	N1—C6—H6B	109.6
O2^iv—Cs1—Cs1^vi	103.69 (6)	C5—C6—H6B	109.6
O1ⁱⁱ—Cs1—Cs1^vi	33.39 (5)	N1—C6—H6A	109.6
Cl1^v—Cs1—Cs1^vi	95.10 (2)	C5—C6—H6A	109.6
S1ⁱⁱ—Cs1—Cs1^vi	54.469 (19)	H6B—C6—H6A	108.1
C3ⁱⁱⁱ—Cs1—Cs1^vi	109.40 (7)	N1—C7—C8	112.4 (4)
Cs1ⁱⁱ—Cs1—Cs1^vi	104.172 (19)	N1—C7—H7B	109.1
O1ⁱ—Cs1—Cs1^vii	61.29 (7)	C8—C7—H7B	109.1
O3—Cs1—Cs1^vii	143.96 (6)	N1—C7—H7A	109.1
O4ⁱⁱⁱ—Cs1—Cs1^vii	54.07 (6)	C8—C7—H7A	109.1
O3ⁱⁱ—Cs1—Cs1^vii	104.72 (6)	H7B—C7—H7A	107.9
O2^iv—Cs1—Cs1^vii	55.73 (6)	C7—C8—S1	110.7 (3)
O1ⁱⁱ—Cs1—Cs1^vii	134.50 (6)	C7—C8—H8B	109.5
Cl1^v—Cs1—Cs1^vii	105.21 (2)	S1—C8—H8B	109.5
S1ⁱⁱ—Cs1—Cs1^vii	118.95 (2)	C7—C8—H8A	109.5
C3ⁱⁱⁱ—Cs1—Cs1^vii	71.89 (7)	S1—C8—H8A	109.5
Cs1ⁱⁱ—Cs1—Cs1^vii	80.817 (18)	H8B—C8—H8A	108.1
Cs1^vi—Cs1—Cs1^vii	158.303 (12)

O2—S1—O1—Cs1^viii	−3.6 (4)	O1ⁱ—Cs1—O3—Cs1^vi	87.86 (18)
O3—S1—O1—Cs1^viii	127.6 (3)	O4ⁱⁱⁱ—Cs1—O3—Cs1^vi	−171.28 (11)
C8—S1—O1—Cs1^viii	−119.1 (3)	O3ⁱⁱ—Cs1—O3—Cs1^vi	9.44 (14)
Cs1^vi—S1—O1—Cs1^viii	138.0 (4)	O2^iv—Cs1—O3—Cs1^vi	−103.76 (12)
O2—S1—O1—Cs1^vi	−141.61 (17)	O1ⁱⁱ—Cs1—O3—Cs1^vi	−7.09 (9)
O3—S1—O1—Cs1^vi	−10.5 (2)	Cl1^v—Cs1—O3—Cs1^vi	118.40 (10)
C8—S1—O1—Cs1^vi	102.91 (17)	S1ⁱⁱ—Cs1—O3—Cs1^vi	−0.81 (9)
O1—S1—O2—Cs1^iv	68.4 (3)	C3ⁱⁱⁱ—Cs1—O3—Cs1^vi	−170.23 (13)
O3—S1—O2—Cs1^iv	−62.0 (3)	Cs1ⁱⁱ—Cs1—O3—Cs1^vi	28.82 (15)
C8—S1—O2—Cs1^iv	−175.6 (2)	Cs1^vii—Cs1—O3—Cs1^vi	−141.73 (6)
Cs1^vi—S1—O2—Cs1^iv	−3.7 (4)	C6—N1—C2—C3	52.9 (5)
O2—S1—O3—Cs1	−41.3 (3)	C7—N1—C2—C3	178.4 (4)
O1—S1—O3—Cs1	−172.2 (2)	N1—C2—C3—O4	−57.6 (5)
C8—S1—O3—Cs1	73.0 (3)	N1—C2—C3—Cs1^ix	−104.7 (3)
Cs1^vi—S1—O3—Cs1	176.3 (4)	C2—C3—O4—C5	61.4 (5)
O2—S1—O3—Cs1^vi	142.40 (17)	Cs1^ix—C3—O4—C5	152.3 (4)
O1—S1—O3—Cs1^vi	11.5 (2)	C2—C3—O4—Cs1^ix	−90.9 (4)
C8—S1—O3—Cs1^vi	−103.22 (18)	C3—O4—C5—C6	−60.3 (5)
O1ⁱ—Cs1—O3—S1	−88.2 (3)	Cs1^ix—O4—C5—C6	88.3 (4)
O4ⁱⁱⁱ—Cs1—O3—S1	12.7 (3)	C2—N1—C6—C5	−52.3 (5)
O3ⁱⁱ—Cs1—O3—S1	−166.6 (3)	C7—N1—C6—C5	−176.8 (3)
O2^iv—Cs1—O3—S1	80.2 (3)	O4—C5—C6—N1	56.0 (5)
O1ⁱⁱ—Cs1—O3—S1	176.9 (3)	C2—N1—C7—C8	170.6 (4)
Cl1^v—Cs1—O3—S1	−57.7 (3)	C6—N1—C7—C8	−64.6 (5)
S1ⁱⁱ—Cs1—O3—S1	−176.9 (3)	N1—C7—C8—S1	−178.7 (3)
C3ⁱⁱⁱ—Cs1—O3—S1	13.7 (3)	O2—S1—C8—C7	−51.2 (3)
Cs1ⁱⁱ—Cs1—O3—S1	−147.2 (2)	O1—S1—C8—C7	69.5 (3)
Cs1^vi—Cs1—O3—S1	−176.1 (4)	O3—S1—C8—C7	−171.5 (3)
Cs1^vii—Cs1—O3—S1	42.2 (4)	Cs1^vi—S1—C8—C7	133.7 (3)

Symmetry codes: (i) x, y−1, z; (ii) −x−3/2, y−1/2, −z+1/2; (iii) −x−1/2, y−1/2, −z+1/2; (iv) −x−1, −y, −z+1; (v) −x−1, −y, −z; (vi) −x−3/2, y+1/2, −z+1/2; (vii) −x−1, −y−1, −z+1; (viii) x, y+1, z; (ix) −x−1/2, y+1/2, −z+1/2.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1···Cl1	0.93	2.11	3.039 (4)	173

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Caesium chloride 2-(N-morpholinio)­ethane­sulfonate

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Caesium chloride 2-(N-morpholinio)ethanesulfonate